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3D Molekül-Visualisierungen für die Chemie-Lehre

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BezeichnungSummenformel (Beilstein)3D-Struktur-berechnungIsomere
1

Diamant

C

X1
2

Brom-chlor-fluor-methan (R/S-Enantiomere)

CHBrClF

MMD2
3

Bromoform (Tribrom-methan)

CHBr3

AM11
4

Chloroform (Trichlor-methan)

CHCl3

AM11
5

Fluoroform (Trifluor-methan)

CHF3

AM11
6

Iodoform (Triiod-methan)

CHI3

AM11
7

Blausäure (HCN)

CHN

DFT1
8

Bromfluormethan

CH2BrF

DFT1
9

Methylenchlorid (Dichlormethan)

CH2Cl2

MMD1
10

Methylenfluorid (Difluormethan)

CH2F2

MMD1
11

Formaldehyd (Methanal)

CH2O

MMD1
12

Ameisensäure (Methansäure)

CH2O2

MMD1
13

Kohlensäure

CH2O3

DFT1
14

Methylbromid (Brommethan)

CH3Br

MMD1
15

Methylchlorid (Chlormethan)

CH3Cl

MMD1
16

Methylfluorid (Fluormethan)

CH3F

MMD1
17

Methyliodid (Iodmethan)

CH3I

MMD1
18

Methyldiazonium

CH3N2+

DFT1
19

Methylnitrit

CH3NO2

DFT1
20

Methylnitrat

CH3NO3

DFT1
21

Isothiocyanatosilan

CH3NSSi

MMD1
22

Methan

CH4

MMD1
23

Harnstoff

CH4N2O

X1
24

Methanol

CH4O

MMD1
25

Methandiol (Formaldehyd-hydrat)

CH4O2

MMD1
26

Methylmercaptan (Methanthiol)

CH4S

MMD1
27

Methylamin

CH5N

DFT1
28

Methylammonium-Ion

CH6N+

MMD1
29

Halon 1211 (Brom(chlor)difluormethan)

CBrClF2

MMD1
30

Halon 1301 (Bromtrifluormethan)

CBrF3

MMD1
31

Frigen R12 (Dichlor-difluor-methan)

CCl2F2

MMD1
32

Phosgen

CCl2O

DFT1
33

Tetrachlorkohlenstoff

CCl4

MMD1
34

Kohlendioxid

CO2

DFT1
35

Carbonat

CO32-

DFT1
36

(R)/(S)-Halothan (2-Brom-2-chlor-1,1,1-trifluor-ethan) Enantiomere

C2HBrClF3

MMD2
37

Chloral (Trichloracetaldehyd)

C2HCl3O

MMD1
38

Trichloressigsäure

C2HCl3O2

MMD1
39

Trifluoressigsäure

C2HF3O2

MMD1
40

Acetylen (Ethin)

C2H2

MMD1
41

Glyoxal

C2H2O2

DFT1
42

Oxalsäure

C2H2O4

DFT1
43

Dibrom-dichlor-ethan (Konfigurations-Isomere)

C2H2Br2Cl2

MMD3
44

Dichlorethen (E/Z-, trans/cis-Konformere)

C2H2Cl2

DFT2
45

Dichloressigsäure

C2H2Cl2O2

MMD1
46

Difluorethen (E/Z-, trans/cis-Konformere)

C2H2F2

DFT2
47

Frigen R134a (1,1,1,2-Tetrafluorethane)

C2H2F4

MMD1
48

Vinylchlorid

C2H3Cl

DFT1
49

Chloressigsäure

C2H3ClO2

MMD1
50

Acetonitril

C2H3N

AM11
51

Ethen (Ethylen)

C2H4

MMD1
52

1-Brom-1-chlor-ethan (Konfigurations-Isomere: S/R)

C2H4BrCl

MMD2
53

Acetaldehyd (Vinylalkohol) / Ethanal (Ethenol) - Tautomere

C2H4O

DFT2
54

Essigsäure (Ethansäure)

C2H4O2

AM11
55

Peroxyessigsäure (Peressigsäure)

C2H4O3

MMD1
56

Primärozonid-Ethen

C2H4O3

DFT1
57

Sekundärozonid-Ethen

C2H4O3

DFT1
58

Bromethan (Ethylbromid)

C2H5Br

MMD1
59

Acetamid (Essigsäureamid)

C2H5NO

MMD1
60

Ethan (Konformere: gestaffelt/ekliptisch)

C2H6

MMD2
61

Ethanol (Ethylalkohol)

C2H6O

MMD1
62

Dimethylether

C2H6O

MMD1
63

Acetaldehyd-hydrat (1,1-Dihydroxy-ethan)

C2H6O2

MMD1
64

Glykol (Ethylenglykol; Ethan-1,2-diol; 1,2-Dihydroxy-ethan)

C2H6O2

MMD1
65

Ethylmercaptan  (Ethanthiol)

C2H6S

MMD1
66

Dimethylsulfid

C2H6S

DFT1
67

Dimethylsulfoxid (DMSO)

C2H6OS

DFT1
68

Dimethylsulfon

C2H6O2S

DFT1
69

Methylsulfonsäure-methylester

C2H6O3S

DFT1
70

Dimethylamin

C2H7N

DFT1
71

Ethylamin

C2H7N

MMD1
72

Ethylammonium-Ion

C2H8N+

MMD1
73

Dimethylammonium-Ion

C2H8N+

MMD1
74

Frigen R113 (1,1,2-Trichlor-1,2,2-trifluorethan)

C2Cl3F3

MMD1
75

Frigen R113a (1,1,2-Trichlor-1,2,2-trifluorethan)

C2Cl3F3

MMD1
76

Tetrafluorethen

C2F4

DFT1
77

Oxalat-dianion

C2O42-

DFT1
78

Frigen R1234yf (2,3,3,3-Tetrafluorprop-1-en)

C3H2F4

MMD1
79

Acrylnitril

C3H3N

MMD1
80

Oxazol

C3H3NO

AM11
81

Isoxazol

C3H3NO

AM11
82

Allen

C3H4

AM11
83

Cyclopropen

C3H4

DFT1
84

Imidazol

C3H4N2

AM11
85

Pyrazol

C3H4N2

AM11
86

Acrolein (Cis-/Trans-Isomere)

C3H4O

DFT2
87

Acrylsäure (Propensäure)

C3H4O2

MMD1
88

Brenztraubensäure

C3H4O3

DFT1
89

Malonsäure (2 Konformationen)

C3H4O4

MMD2
90

Allyl-Kation

C3H5+

DFT1
92

2-Brompropionsäure (2S/2R-Enantiomere)

C3H5BrO2

MMD2
93

Acetaldehyd-cyanhydrin

C3H5NO

MMD1
94

Cyclopropan

C3H6

DFT1
95

Propen

C3H6

DFT1
96

2-Brom-2-chlor-propan

C3H6BrCl

MMD1
97

Propionaldehyd (Propanal)

C3H6O

MMD1
98

Aceton (Propanon)

C3H6O

AM11
99

Methyl-vinyl-ether (Methoxy-ethen)

C3H6O

MMD1
100

2-Methyl-oxiran Propenoxid (S/R-Enantiomere)

C3H6O

MMD2
101

Propionsäure Propansäure

C3H6O2

MMD1
102

Ameisensäureethylester (Ethylformiat)

C3H6O2

MMD1
103

Triosen: Aldotriosen/Ketotriose (Konfigurations-Isomere)

C3H6O3

MMD3
104

L/D-(R/S-)Glycerinaldehyd (Enantiomere)

C3H6O3

MMD2
105

L/D-Milchsäure (2-Hydroxypropansäure); (Enantiomere)

C3H6O3

MMD2
106

Prop-2-en-1-thiol

C3H6S

MMD1
107

1-Brom-propan und 2-Brom-propan (Konstitutions-Isomere)

C3H7Br

MMD2
108

1-Chlor-propan und 2-Chlor-propan (Konstitutions-Isomere)

C3H7Cl

MMD2
109

1-Fluor-propan und 2-Fluor-propan (Konstitutions-Isomere)

C3H7F

MMD2
110

1-Iod-propan und 2-Iod-propan (Konstitutions-Isomere)

C3H7I

MMD2
111

DMF Dimethylformamid

C3H7NO

DFT1
112

Aceton-oxim

C3H7NO

DFT1
113

N-Methyl-acetamid

C3H7NO

AM11
114

Ethyl-urethan (Ethyl-carbamat)

C3H7NO2

MMD1
115

L/D-Alanin (Enantiomere)

C3H7NO2

X2
116

L/D-Cystein (Enantiomere)

C3H7NO2S

DFT2
117

L/D-Serin (Enantiomere)

C3H7NO3

DFT2
118

Propan

C3H8

MMD1
119

Propanol (Propan-1-ol)

C3H8O

MMD1
120

Isopropanol (Propan-2-ol)

C3H8O

MMD1
121

Ethyl-methyl-ether

C3H8O

MMD1
122

Acetaldehyd-halbacetal

C3H8O2

MMD1
123

Glycerin (Glycerol)

C3H8O3

MMD1
124

Ethyl-methyl-sulfid

C3H8S

DFT1
125

Propan-1-thiol

C3H8S

MMD1
126

Ethyl-methyl-sulfoxid

C3H8OS

DFT1
127

Ethyl-methyl-sulfon

C3H8O2S

DFT1
128

Methylsulfonsäure-ethylester

C3H8O3S

DFT1
129

Trimethyl-borat

C3H9BO3

DFT1
130

Isopropylamin

C3H9N

MMD1
131

Trimethylamin

C3H9N

DFT1
132

Methylethylamin

C3H9N

MMD1
133

Propylamin

C3H9N

MMD1
134

1,3,5-Triazinan (Hexahydro-1,3,5-triazin)

C3H9N3

MMD1
135

Trimethyl-phosphat (Phosphorsäuretrimethylester)

C3H9O4P

DFT1
136

Trimethylsulfonium

C3H9S+

DFT1
137

Propylammonium-Ion

C3H10N+

MMD1
138

Trimethylammonium-Ion

C3H10N+

MMD1
139

Chlormethylenmalodinitril

C4HClN2

DFT1
140

cis-Dicyan-ethylen

C4H2N2

MMD1
141

trans-Dicyan-ethylen

C4H2N2

MMD1
142

1,2-Dicyan-ethylene (cis/trans)

C4H2N2

MMD2
143

Maleinsäureanhydrid

C4H2O3

MMD1
144

Oxalacetat (Keto/Enol)

C4H2O5

DFT2
145

Furan

C4H4O

AM11
146

Pyrimidin

C4H4N2

DFT1
147

Uracil

C4H4N2O2

DFT1
148

cis-/trans-Butendisäure (Konfigurations-Isomere: Maleinsäure/Fumarsäure)

C4H4O4

AM12
149

Thiophen

C4H4S

AM11
150

Chloropren (2-Chlor-1,3-butadien)

C4H5Cl

DFT2
151

Pyrrol

C4H5N

AM11
152

Methacrylnitril

C4H5N

MMD1
153

Cytosin

C4H5N3O

DFT1
154

Butadien (s-trans / s-cis)

C4H6

DFT2
155

But-1-in

C4H6

MMD1
156

Cyclobuten

C4H6

DFT1
157

Dibrombuten (Isomere)

C4H6Br2

MMD3
158

(S)/(R)-1,1,1-Trichlor-3-iod-2-methyl-propan

C4H6Cl3I

DFT2
159

Imidodithiokohlensäurederivat

C4H6N2S2

DFT1
160

But-2-enal (Crotonaldehyd) / But-3-enal (Isomere)

C4H6O

MMD2
161

Methyl-vinyl-keton But-3-en-2-on

C4H6O

MMD1
162

Vinylacetat

C4H6O2

DFT1
163

Acrylsäure-methyl-ester

C4H6O2

MMD1
164

Essigsäure-anhydrid (Acetanhydrid)

C4H6O3

DFT1
165

L/D-(S/R-)Äpfelsäure (Enantiomere)

C4H6O5

AM12
166

Weinsäuren D/L und meso (Konfigurations-Isomere)

C4H6O6

AM13
167

2-Brom-but-1-en

C4H7Br

MMD1
168

Butyronitril

C4H7N

MMD1
169

Cyclobutan

C4H8

MMD1
170

1-Buten

C4H8

MMD1
171

cis/trans-2-Buten

C4H8

MMD2
172

Isobuten (2-Methyl-propen)

C4H8

DFT1
174

(2S,3S)/(2R,3R)-2-Brom-3-chlor-butane (Konfigurations-Isomere)

C4H8BrCl

MMD2
177

2,2-Dibrombutan

C4H8Br2

MMD1
178

Senfgas

C4H8Cl2S

MMD1
179

n-Butyraldehyd (Butanal)

C4H8O

MMD1
180

Butan-2-on (Methyl-ethyl-keton)

C4H8O

MMD1
181

But-1-en-2-ol

C4H8O

MMD1
182

But-1-en-2-ol / Butan-2-on (Tautomere)

C4H8O

MMD2
183

Tetrahydrofuran (THF)

C4H8O

DFT1
184

(2S)/(2R)-2-Hydroxy-tetrahydrofuran ((2S)/(2R)-Oxolan-2-ol) (Enantiomere)

C4H8O2

MMD2
185

Buttersäure (Butansäure)

C4H8O2

MMD1
186

Essigsäure-ethylester (Ethylacetat)

C4H8O2

AM11
187

(3S)/(3R)-3-Hydroxybutanal (Aldol) (Enantiomere)

C4H8O2

MMD2
188

Dioxan

C4H8O2

AM11
189

Essigsäure (H-Brücken-Dimer)

C4H8O4

DFT1
190

L/D-Erythrosen und L/D-Threosen (Tetrosen) (Konfigurations-Isomere)

C4H8O4

AM14
191

(2E)-But-2-en-1-thiol

C4H8S

MMD1
192

2-Brombutan (Enantiomere)

C4H9Br

MMD2
193

2-Brom-2-methyl-propan (tert-Butylbromid)

C4H9Br

MMD1
194

1- und 2-Chlor-2-methyl-propan (Konstitutions-Isomere)

C4H9Cl

MMD2
195

1-Iod-butan (n-Butyliodid)

C4H9I

MMD1
196

Trimethyl-imin

C4H9N

DFT1
197

Pyrrolidin

C4H9N

MMD1
198

n-Butan (Konformere)

C4H10

MMD3
199

Iso-butan

C4H10

MMD1
200

Butan-1-ol

C4H10O

AM11
201

(R)/(S)-Butan-2-ol (Enantiomere)

C4H10O

MMD2
202

tert-Butanol

C4H10O

MMD1
203DiethyletherC4H10OAM11
204

1,4-Butandiol

C4H10O2

MMD1
205

1,1-Dimethoxyethane (Acetaldehyd-vollacetal)

C4H10O2

MMD1
206

1,2-Dimethoxyethan (Glyme)

C4H10O2

MMD1
207

Trimethoxymethan (Orthoameisensäuretrimethylester)

C4H10O3

MMD1
208

(S)/(R)-2-Butylamin (Enantiomere)

C4H11N

DFT2
209

Tetramethylammonium

C4H12N+

DFT1
210

Purin

C5H4N4

DFT1
211

Cyclopentadienid (Cyclopenta-2,4-dien-1-id)

C5H5-

DFT1
212

Pyridin

C5H5N

AM11
213

Cyanmethacrylat

C5H5NO2

DFT1
214

Adenin

C5H5N5

DFT1
215

Guanin

C5H5N5O

DFT1
216

Cyclopentadien

C5H6

DFT1
217

1-Brom-2-chlor-cyclopenten

C5H6BrCl

MMD1
218

Thymin

C5H6N2O2

DFT1
219

Cyclopentenylium

C5H7+

DFT1
220

Cyclopenten

C5H8

DFT1
221

Penta-1,2-dien

C5H8

MMD1
222

Penta-1,3-dien

C5H8

AM11
223

Penta-1,4-dien

C5H8

AM11
224

3-Methyl-1,2-butadien (1,1-Dimethyl-allen)

C5H8

AM11
225

(M)/(P)-Penta-2,3-dien (1,3-Dimethyl-allen) (Enantiomere)

C5H8

MMD2
226

Pent-1-in

C5H8

MMD1
227

Isopren (2-Methyl-1,3-butadien) (Konformere)

C5H8

DFT2
228

1,2-Difluor-cyclopentane (Konfigurations-Isomere)

C5H8F2

MMD3
229

L/D-Glutamat (L/D-Glutaminsäure-Anion)

C5H8NO4-

MMD2
230

Cyclopentanon

C5H8O

MMD1
231

Pentane-2,4-dione; (3Z)-4-Hydroxy-pent-3-en-2-on; Acetylaceton (Keto-/Enol-Tautomere)

C5H8O2

MMD2
232

Methyl-methacrylat

C5H8O2

DFT1
233

Lävulinsäure (4-Oxo-pentansäure)

C5H8O3

MMD1
234

Pentacyanin

C5H9N2+

DFT1
235

Histamin

C5H9N3

MMD1
236

L/D-Prolin (Zwitterionen, Betaine)

C5H9NO2

MMD2
237

Pent-1-en

C5H10

MMD1
238

cis-Pent-2-en ( (2Z)-Pent-2-en)

C5H10

MMD1
239

trans-Pent-2-en ( (2E)-Pent-2-en)

C5H10

MMD1
240

Cyclopentan

C5H10

DFT1
241

3-Methyl-butanal

C5H10O

MMD1
242

Pentan-2-on (Diethylketon)

C5H10O

MMD1
243

Valeriansäure (Pentansäure)

C5H10O2

MMD1
244

(2R)-Methylbuttersaeure

C5H10O2

MMD1
245

Buttersäure-methylester (Methylbutyrat)

C5H10O2

MMD1
246

alpha/beta-D-2-Desoxyribofuranose (Desoxyribose) (Anomere)

C5H10O4

MMD2
247

alpha/beta-D-Ribo-furanosen und -pyranosen (Ribose) (Isomere)

C5H10O5

MMD4
248

Cyclopentanthiol

C5H10S

MMD1
249

(2S,3R)-2-Chloropentan-3-ol

C5H11ClO

MMD1
250

Piperidin

C5H11N

MMD1
251

L/D-Valin (Enantiomere)

C5H11NO2

MMD2
252

Pentan Isomere (n-Pentan, Isopentan, Neopentan)

C5H12

MMD3
253

Isopentan

C5H12

MMD1
254

Neopentan

C5H12

MMD1
255

Pentan-1-ol

C5H12O

MMD1
256

(2R)/(2S)-Pentan-2-ol (Enantiomere)

C5H12O

MMD2
257

Pentan-3-ol

C5H12O

MMD1
258

(2R)/(2S)-2-Methylbutan-1-ol (Enantiomere)

C5H12O

MMD2
259

2-Methylbutan-2-ol

C5H12O

MMD1
260

(2R)/(2S)-3-Methylbutan-2-ol (Enantiomere)

C5H12O

MMD2
261

3-Methylbutan-1-ol

C5H12O

MMD1
262

2,2-Dimethylpropan-1-ol

C5H12O

MMD1
263

Methyl-tert-butyl-ether

C5H12O

AM11
264

n-Propylacetat (Essigsäurepropylester)

C5H12O2

MMD1
265

1-(Methylsulfanyl)butane

C5H12S

MMD1
266

Cadaverin

C5H14N2

MMD1
267

Hexacyanoferrat(III)

C6FeN63-

X1
268

1,2,4,5-Tetrachlorbenzen

C6H2Cl4

MMD1
269

Z-Hex-3-en-1,5-diin

C6H4

DFT1
270

2,4,6-Tribromphenol

C6H3Br3O

MMD1
271

1-Fluor-2,4-dinitrobenzol (DNFB, Sangers Reagenz)

C6H3FN2O4

MMD1
272

1,2-Dibrombenzen (ortho-Dibrombenzol)

C6H4Br2

MMD1
273

1-Chlor-2-fluor-benzen

C6H4ClF

MMD1
274

1,2-Dichlorbenzen (ortho-Dichlorbenzol)

C6H4Cl2

AM11
275

1,3-Dichlorbenzen (meta-Dichlorbenzol)

C6H4Cl2

AM11
276

1,4-Dichlorbenzen (para-Dichlorbenzol)

C6H4Cl2

AM11
277

Dinitrobenzene (ortho-, meta-, para-Isomere)

C6H4N2O4

DFT3
278

Brombenzen

C6H5Br

MMD1
279

Chlorbenzen

C6H5Cl

AM11
280

Fluorbenzen

C6H5F

MMD1
281

Phenyldiazonium (Benzendiazonium)

C6H5N2+

DFT1
282

Nitrobenzen

C6H5NO2

AM11
283

Nitrophenol (ortho-, meta-, para-Isomere)

C6H5NO3

DFT3
284

Zitronensäure (Citrat Trianion)

C6H5O73-

DFT1
285

Benzen (Benzol)

C6H6

MMD1
286

gamma-Hexachlorcyclohexan (Gammexan, Lindan)

C6H6Cl6

MMD1
287

Phenol (Hydroxybenzen)

C6H6O

DFT1
288

Benzolsulfonsäure

C6H6O3S

DFT1
289

Thiophenol

C6H6S

MMD1
290

Anilin (Aminobenzen)

C6H7N

DFT1
291

Cyclohexa-1,3-dien

C6H8

MMD1
292

(3E)-Hexa-1,3,5-trien

C6H8

MMD1
293

(2E)-Hex-2-en-4-in

C6H8

MMD1
294

Adipinsäuredinitril (Hexandinitril)

C6H8N2

MMD1
295

Ascorbinsäure (Vitamin C)

C6H8O6

MMD1
296

Isoascorbinsäure (Erythorbinsäure)

C6H8O6

MMD1
297

Glucuronolacton (Glucuronsäurelacton)

C6H8O6

MMD1
298

Carballicsäure (Propane-1,2-3-tricarbonsäure)

C6H8O6

MMD1
299

Trisformylglycerin

C6H8O6

MMD1
300

Hex-2-in

C6H10

MMD1
301

2,3-Dimethylbuta-1,3-dien (Konformere)

C6H10

MMD2
302

3,3-Dimethyl-but-1-in

C6H10

MMD1
303

Cyclohexen

C6H10

DFT1
304

Cyclohexen-bromonium

C6H10Br+

MMD1
305

(3Z)-3-bromo-4-chlor-hex-3-en

C6H10BrCl

MMD1
306

1-Brom-3-chlor-cyclohexan (cis/trans Konstitutionsisomere)

C6H10BrCl

MMD2
307

1,2-Dibrom-cyclohexane (Konfigurations-Isomere)

C6H10Br2

MMD3
308

1,4-trans-Dibromcyclohexan (Konformere)

C6H10Br2

MMD2
309

Cyclopentancarbaldehyd

C6H10O

MMD1
310

Cyclohexanon/Cyclohexenol (Keto-/Enol Tautomere)

C6H10O

MMD2
311

Epoxycyclohexan (Konformere)

C6H10O

MMD2
312

(1S,2R)-Cyclohex-3-en-1,2-diol

C6H10O2

MMD1
313

(3S)/(3R)-Hydroxy-cyclohexan-1-on (Enantiomere)

C6H10O2

MMD2
314

Acetessigester (Ethyl-3-oxobutanoat; Ethyl-(2Z)-3-hydroxy-but-2-enoat (Keto-/Enol-Tautomere)

C6H10O2

MMD2
315

Adipinsäure

C6H10O4

MMD1
316

(1Z)-3,3-Dimethyl-1-brom-buten

C6H11Br

MMD1
317

2-Brom-cyclohexan-1-ole (Konfigurationsisomere)

C6H11BrO

MMD4
318

Chlorcyclohexan

C6H11Cl

MMD1
319

Caprolactam (Azepan-2-on)

C6H11NO

MMD1
320

Cyclohexan (Konformere)

C6H12

MMD3
321

1,1-Dimethyl-cyclobutan

C6H12

MMD1
322

1,2-Dimethylcyclobutane (Kofigurations-Isomere)

C6H12

MMD3
323

1,3-Dimethylcyclobutane (Konfigurationsisomere)

C6H12

MMD2
324

3,3-Dimethyl-but-1-en

C6H12

MMD1
325

4-Methyl-pent-1-en

C6H12

MMD1
326

(2S)-1,2-Dibrom-3,3-dimethylbutan

C6H12Br2

MMD1
327

Cyclamat-Ion

C6H12NO3S-

MMD1
328

Adipinsäurediamid (Hexandiamid)

C6H12N2O2

MMD1
329

Cystin

C6H12N2O4S2

DFT1
330

Urotropin

C6H12N4

MMD1
331

Capronsäure (Hexansäure)

C6H12O2

MMD1
332

Butylacetat (Essigsäurebutylester)

C6H12O2

MMD1
333

cis-1,2-Cyclohexandiol (Konformere nach P/M-Helix-Nomenklatur)

C6H12O2

MMD2
334

trans-1,2-Cyclohexandiol

C6H12O2

MMD1
335

alpha/beta-D-Glucopyranose (D-Glucose) (Anomere)

C6H12O6

MMD2
336

alpha/beta-D-Mannopyranose (D-Mannose) (Anomere)

C6H12O6

MMD2
337

alpha/beta-D-Galactopyranose (D-Galactose) (Anomere)

C6H12O6

X2
338

alpha/beta-D-Fructofuranose (D-Fructose) (Anomere)

C6H12O6

MMD2
339

alpha-D-Sorbose

C6H12O6

X1
340

alpha-D-Talose

C6H12O6

X1
341

muco-Inositol

C6H12O6

X1
342

1L-chiro-Inositol

C6H12O6

X1
343

Dihydroxyaceton (DHA Dimer)

C6H12O6

X1
344

1-Brom-2-ethoxy-2-methylpropan

C6H13BrO

MMD1
345

2-Chlor-2,3-dimethyl-butan

C6H13Cl

MMD1
346

(3S)/(3R)-2-Chlor-2,3-dimethyl-butan (Enantiomere)

C6H13Cl

MMD2
347

L/D-Leucin (Enantiomere; Zwitterionen, Betaine)

C6H13NO2

MMD2
348

L/D-Isoleucin (Enantiomere; Zwitterionen, Betaine)

C6H13NO2

MMD2
349

n-Hexan

C6H14

MMD1
350

Hexan-1-ol

C6H14O

MMD1
351

Diisopropylether

C6H14O

MMD1
352

2-Ethoxy-2-methylpropan

C6H14O

MMD1
353

Triethylamin

C6H15N

MMD1
354

R/S-Lysin (Enantiomere im Sauren)

C6H15N2O2-

MMD2
355

Hexamethylendiamin (1,6-Diamin-hexan)

C6H16N2

MMD1
356

Dimethylsulfonylylid

C6H16O2SSi

DFT1
357

Benzoylchlorid

C7H5ClO

DFT1
358

m-Chlorperbenzoesäure (mCPBA)

C7H5ClO3

MMD1
359

Saccharin

C7H5NO3S

MMD1
360

Benzaldehyd

C7H6O

DFT1
361

Salicylaldehyd

C7H6O2

MMD1
362

Benzoesäure

C7H6O2

AM11
363

Peroxybenzoesäure

C7H6O3

DFT1
364

Salicylsäure (2-Hydroxybenzoesäure)

C7H6O3

DFT1
365

Tropylium (Cyclohepta-2,4,6-trien-1-ylium)

C7H7+

DFT1
366

Benzylbromid (Brommethylbenzen)

C7H7Br

MMD1
367

Bromtoluol (ortho-, meta-, para-Isomere)

C7H7Br

MMD3
368

Benzamid (Benzoesäureamid)

C7H7NO

MMD1
369

Benzaldehyd-oxim ( (E)-N-(phenylmethylidene)hydroxylamine)

C7H7NO

MMD1
370

Nitrotoluol (ortho-, meta-, para-Isomere)

C7H7NO2

DFT3
371

Toluol (Toluen)

C7H8

MMD1
372

Norbornadien (Bicyclo[2.2.1]hept-2,5-dien)

C7H8

MMD1
373

Tropyliden

C7H8

AM11
374

Benzaldehyd-hydrazon ((E)-(phenylmethyliden)hydrazin)

C7H8N2

MMD1
375

Theobromin

C7H8N4O2

MMD1
376

Benzylalkohol (Phenylmethanol)

C7H8O

DFT1
377

Anisol (Methoxybenzen, Methylphenylether)

C7H8O

DFT1
378

Norbornen (Bicyclo[2.2.1]hept-2-en)

C7H10

MMD1
379

Dichlorbicycloheptan

C7H10Cl2

MMD1
380

4-Dimethylaminopyridin (N,N-dimethylpyridin-4-amin, DMAP)

C7H10N2

DFT1
381

Cyclopent-Pentacyanin

C7H11N2+

DFT1
382

Cyclohepten

C7H12

DFT1
383

Norbornan (Bicyclo[2.2.1]heptan)

C7H12

MMD1
384

1-Methylcyclohexen (Konformere)

C7H12

MP22
385

(R)-4-Methyl-cyclohex-1-en (Konformere)

C7H12

MP22
386

(S)-4-Methyl-cyclohex-1-en (Konformere)

C7H12

MP22
387

Diazomethan-Angelat/Tiglat-Cycloaddukte (Isomere)

C7H12N2O2

MMD2
388

Cyclohexancarbonsäure

C7H12O2

MMD1
389

Malonsäure-diethylester (Diethylmalonat) Tautomere

C7H12O4

DFT2
390

cis-1-Chlor-4-methyl-cyclohexan (Konformere)

C7H13Cl

MP22
391

trans-1-Chlor-4-methyl-cyclohexan (Konformere)

C7H13Cl

MP22
392

1-Iod-1-methyl-cyclohexan

C7H13I

MMD1
393

1-Dimethylamino-cyclopenten (N,N-Dimethylcyclopent-1-en-1-amin)

C7H13N

MMD1
394

1,2-Dimethylcyclopentane (Konfigurationsisomere)

C7H14

MMD2
395

Methyl-cyclohexan (Konformere)

C7H14

AM12
396

Heptansäure

C7H14O2

MMD1
397

3-Methylbutylacetat (Ethansäure-isopentylester; Bananenöl)

C7H14O2

MMD1
398

(7E)-Dec-7-en-2-in

C7H16

MMD1
399

n-Heptan

C7H16

MMD1
400

Bis(rac-tartrato-κ2O2,O3)cuprat(6−) (Tartrat-Kupfer-Komplex bei hohem pH-Wert)

C8H4CuO126-

X1
401

2,4,5-Trichlorphenoxyessigsäure

C8H5Cl3O3

MMD1
402

Phenylacetylen

C8H6

MMD1
403

Piperonal

C8H6O3

X1
404

Phthalsäure (Benzen-1,2-dicarbonsäure)

C8H6O4

MMD1
405

Terephthalsäure (Benzen-1,4-dicarbonsäure)

C8H6O4

MMD1
406

Phenyl-vinylkation

C8H7+

DFT1
407

Indol

C8H7N

AM11
408

Styren (Styrol)

C8H8

DFT1
409

Cyclo-octatetraen

C8H8

AM11
410

Semibullvalen

C8H8

DFT1
411

(1S)/(1R)-1,2-Dibrom-1-phenyl-ethan (Enantiomere)

C8H8Br2

MP22
412

cis/trans-Dicyancyclohexene (Cyclohex-4-en-1,2-dicarbonitril) Isomere

C8H8N2

DFT3
413

p-Tolualdehyd

C8H8O

MMD1
414

Acetophenon (1-Phenylethan-1-on)

C8H8O

MMD1
415

Barrelenon

C8H8O

DFT1
416

Vanillin (4-Hydroxy-3-methoxybenzaldehyd)

C8H8O3

MMD1
417

Mandelsäure

C8H8O3

DFT2
418

(1R)/(1S)-1-Brom-ethyl-benzen (Enantiomere)

C8H9Br

MMD2
419

(1R)/(1S)-1-Chlorethyl-benzen (Enantiomere)

C8H9Cl

MMD2
420

Benzaldehydimin ( (Z)-Methyl(phenylmethyliden)amin)

C8H9N

MMD1
421

ortho-, meta-, para-Xylol (Konfigurationsisomere)

C8H10

MMD3
422

Octatetraen (Octa-1,3,5,7-tetraen)

C8H10

MMD1
423

Coffein (Kaffein)

C8H10N4O2

MMD1
424

exo/endo-Formyl-norbornen (Bicyclo[2.2.1]hept-5-en-2-carbaldehyde) Konfigurationsisomere

C8H10O

MMD2
425

(1R)/(1S)-1-Phenylethanol (Konfigurationsisomere)

C8H10O

MMD2
426

Benzaldehydhalbacetal ( (S)-Methoxy(phenyl)methanol)

C8H10O2

MMD1
427

p-Toluolsulfonsäure-methylester

C8H10O3S

DFT1
428

Phenethylamin (2-Phenylethanamin)

C8H11N

MMD1
429

Benzaldehydhalbaminal ( (R)-(methylamino)(phenyl)methanol)

C8H11NO

MMD1
430

Dopamin

C8H11NO2

DFT1
431

Noradrenalin

C8H11NO3

DFT1
432

4-Vinyl-cyclohex-1-en

C8H12

MMD1
433

Noradrenalinium-Kation

C8H12NO3+

DFT1
434

Azo-bis-isobutyronitril

C8H12N4

MMD1
435

Tropinon

C8H13NO

MMD1
436

Cyclohex-Pentacyanin

C8H13N2+

DFT1
437

Ethylidencyclohexan

C8H14

MMD1
438

Cycloocten

C8H14

DFT1
439

Bornan

C8H14

MMD1
440

cis-1,2-Dimethylcyclohexan (Konformere: P/M-Helix-Nomenklatur)

C8H16

MMD2
441

trans-(1R,2R)-1,2-Dimethylcyclohexan (Konformere)

C8H16

MMD2
442

trans-(1S,2S)-1,2-Dimethylcyclohexan (Konformere)

C8H16

MMD2
443

(1R,2R)-1-Ethyl-2-methoxycyclopentan

C8H16O

MMD1
444

12-Krone-4-ether

C8H16O4

DFT1
445

(R)-2-Brom-octan

C8H17Br

MMD1
446

Dipeptid Alanin-Valin (N-ala-val-CO; N-Alanyl-valin)

C8H17N2O3

X1
447

n-Octan

C8H18

MMD1
448

Iso-octan (2,2,4-Trimethylpentan)

C8H18

MMD1
449

Octan-1-ol

C8H18O

MMD1
450

1-(tert-Butoxy)butane

C8H18O

MMD1
451

Di-tert-butyl-peroxid (DTBP)

C8H18O2

DFT1
452

(S)-2-Mercapto-octan

C8H18S

MMD1
453

Diisopropylethylamin (DIPEA)

C8H19N

MMD1
454

2,4-Toluol-di-isocyanat (2,4-TDI)

C9H6N2O2

DFT1
455

Chinolin

C9H7N

MMD1
456

Isochinolin

C9H7N

MMD1
457

Zimtaldehyd ( (2E)-3-phenylprop-2-enal)

C9H8O

MMD1
458

Endo/Exo-Cyclopentadien-Maleinsäureanhydrid-Diels-Alder-Addukte

C9H8O3

MMD2
459

Aspirin (Acetylsalicylsäure, ASS, 2-Acetoxy-benzoesäure)

C9H8O4

MMD1
460

Benzoesäureethylester (Ethylbenzoat)

C9H10O2

MMD1
461

p-Methoxyacetophenon

C9H10O2

MMD1
462

L-Phenylalanin ((S)-Phenylalanin; Zwitterion)

C9H11NO2

MMD1
463

1-Ethyl-4-methylbenzen

C9H12

MMD1
464

Cumol (Isopropylbenzen)

C9H12

MMD1
465

3,5-Dimethoxy-toluen (Teerosenduft)

C9H12O2

MMD1
466

Benzaldehydvollacetal (Dimethoxymethylbenzen)

C9H12O2

MMD1
467

Adrenalin

C9H13NO3

MMD1
468

Benzaldehyd-Vollaminal (Methyl[(methylamino)(phenyl)methyl]amine)

C9H14N2

MMD1
469

Azaheptafulven113

C9H14N4

DFT1
470

(1S)/(1R)-3,4-Dimethylcyclohex-3-en-1-carbaldehyd (Enantiomere)

C9H14O

MMD2
471

[(2E)-1,2-dibromohex-2-en-3-yl]cyclopropane

C9H14Br2

MMD1
472

(1S,2R)-1-Ethenyl-2-methylcyclohexane

C9H16

MMD1
473

(1E,2S)-1-Ethylidene-2-methylcyclohexan

C9H16

MMD1
474

1-Ethyl-2-methyl-cyclohex-1-en

C9H16

MMD1
475

(1S,2S,5S)-2-Ethyl-5-methylcyclohexan-1-ol

C9H18O

MMD1
476

Cyclohexyl-propyl-ether

C9H18O

MMD1
477

Diazacyclopentadienylium (2,4,5-Tris-(dimethylamino)-2H-imidazolium)

C9H18N5+

DFT1
478

(2S)-2-Chlor-5,5-dimethylheptan

C9H19Cl

MMD1
479

n-Nonan

C9H20

MMD1
480

Methylmagnesiumbromid-Diethylether-Komplex

C9H23BrMgO2

DFT1
481

Naphthalin

C10H8

DFT1
482

Ferrocen

C10H10Fe

X1
483

Benzyliden-aceton ((3E)-4-phenylbut-3-en-2-one)

C10H10O

DFT1
484

(1S)/(1R)-2-Brom-1-phenyl-ethyl-acetat (Enantiomere)

C10H11BrO2

MP22
485

Decapentaen (Deca-1,3,5,7,9-pentaen)

C10H12

MMD1
486

endo/exo-Cyclopentadien-dimere (Tricyclo-[5.2.1.0 2.6]-deca-3,8-diene) Konfigurationsisomere

C10H12

MMD4
487

Serotonin

C10H12N2O

DFT1
488

Eugenol

C10H12O2

DFT1
489

trans/cis-Isoeugenol

C10H12O2

DFT2
490

1-Brom-2-tert-butylbenzen

C10H13Br

MMD1
491

Adenosin

C10H13N5O4

MMD1
492

Adenin-arabinosid

C10H13N5O4

MMD1
493

n-Butyl-benzen

C10H14

MMD1
494

(2S)/(2R)-Isobutyl-benzene (Enantiomere)

C10H14

MMD2
495

Nikotin

C10H14N2

MMD1
496

L/D-Carvon (Enantiomere)

C10H14O

MMD2
497

(2S)/(2R)-2-Phenylbutan-2-ol (Enantiomere)

C10H14O

MMD2
498

Myrtenal

C10H14O

MMD1
499

Ephedrin

C10H15NO

MMD1
500

E-Dec-7-en-2-in

C10H16

MMD1
501

Adamantan

C10H16

MMD1
502

D/L-Limonen (Enantiomere)

C10H16

MP22
503

Myrcen (1-Methyl-4-(prop-1-en-2-yl)-cyclohex-1-ene)

C10H16

MMD1
504

alpha-Pinen

C10H16

MMD1
505

(3S)-3-Pentyl-pent-1-en-4-in

C10H16

MMD1
506

Citral

C10H16O

MMD1
507

Thujon

C10H16O

MMD1
508

(S)-Phoracantholid J

C10H16O2

MMD1
509

cis-/trans-Decalin (Konfigurationsisomere)

C10H18

MMD2
510

(-)-Borneol

C10H18O

MMD1
511

(+)-Isoborneol

C10H18O

MMD1
512

(R)-Citronellal

C10H18O

MMD1
513

Geraniol

C10H18O

MMD1
514

Grandisol

C10H18O

MMD1
515

Isopulegol

C10H18O

MMD1
516

(-)-Menthol

C10H20O

MMD1
517

cis-4-t-Butyl-cyclohexanol

C10H20O

MMD1
518

trans-4-t-Butyl-cyclohexanol

C10H20O

MMD1
519

Caprylsäure

C10H20O2

MMD1
520

15-Krone-5-ether

C10H20O5

DFT1
521

Triazinium84

C10H21N6+

DFT1
522

n-Decan

C10H22

MMD1
523

beta-Naphthoesäure (Naphthalin-2-carbonsäure)

C11H8O2

MMD1
524

Amidotrizoesäure 10B (3,5-Diacetamido-2,4,6-triiodobenzoesäure)

C11H9I3N2O4

MMD1
525

Propa-1,2-dien-1,1,3,3-tetracarbonsäuretetramethylester

C11H12O8

MMD1
526

Cyclopentadienylkation 97

C11H13N4+

DFT1
527

S-Ectocarpen

C11H16

MMD1
528

p-Toluolsulfonsäure-n-butylester

C11H16O3S

MMD1
529

Tetrodotoxin (Nervengift)

C11H18N3O8+

X1
530

Acetylneuraminsäure

C11H19NO9

MMD1
531

Tetradimethylaminoallen

C11H24N4

DFT1
532

Dioxin (2,3,7,8-Tetrachlordibenzodioxin)

C12H4Cl4O2

MMD1
533

7.7-(S.S'-Vinylendimercapto)-8.8-dicyan-p-benzochinodimethan

C12H6N2S2

DFT1
534

Aldrin

C12H8Cl6

MMD1
535

Carbazol

C12H9N

MMD1
536

Biphenyl

C12H10

DFT1
537

trans-/cis-Azobenzene (Konfigurationsisomere)

C12H10N2

DFT2
538

Azachromophor-B-68

C12H12N1O

DFT1
539

Bis-(dimethylamino)-cyclopropenylium-pentacarbonyl-Mn-Komplex

C12H12MnN2O5

DFT1
540

all-trans-Dodeca-hexaen

C12H14

MMD1
541

N-Methyltryptophan (Abrin)

C12H14N2O2

MMD1
542

Bufotenin

C12H16N2O

DFT1
543

p-Di-isopropyl-benzen

C12H18

MMD1
544

Tetrapeptid (ala-ala-ala-ala)

C12H22N4O5

DFT1
545

(5S/5R)-5-Ethenyl-decansäure (Konfigurationsisomere)

C12H2202

MMD2
546

Disaccharid Saccharose, Sucrose, Zucker (Glucose-alpha(1-2)-Fructofuranose)

C12H22011

X1
547

Disaccharid Cellobiose (Glucose-beta(1-4)-Glucose)

C12H22011

DFT1
548

Disaccharid Gentiobiose (Glucose-beta(1-6)-Glucose)

C12H22011

DFT1
549

Disaccharid Isomaltose (Glucose-alpha(1-6)-Glucose)

C12H22011

DFT1
550

Disaccharid Lactose (Galactose-beta(1-4)-Glucose)

C12H22011

DFT1
551

Disaccharid Lactulose (Galactose-beta(1-4)-Fructose)

C12H22011

DFT1
552

Disaccharid Laminaribiose (Glucose-beta(1-3)-Glucose)

C12H22011

DFT1
553

Disaccharid beta-Maltose (Glucose-alpha(1-4)-Glucose)

C12H22011

DFT1
554

Disaccharid Melibiose (Galactose-alpha(1-6)-Glucose)

C12H22011

DFT1
555

18-Krone-6-ether Kalium-Komplex

C12H24KO6

X1
556

Laurinsäure

C12H24O2

MMD1
557

18-Krone-6-ether

C12H24O6

X1
558

Fluoren

C13H10

MMD1
559

(R)/(S)-Thalidomid (Contergan) (Enantiomere)

C13H10N2O4

MMD2
560

Benzophenon (Diphenylketon)

C13H10O

DFT1
561

Mycomycin

C13H10O2

AM11
562

Benzhydrol (Diphenylmethanol)

C13H12O

MMD1
563

Hexachlorophen

C13H6Cl6O2

MMD1
564

Ambroxol

C13H18Br2N2O

MMD1
565

Ferrocenyl-dimethylallyl-kation 82

C13H18FeN

DFT1
566

beta-Ionon

C13H20O

AM11
567

Dicyclohexyl-carbodiimid

C13H22N2

DFT1
568

Tridecansäure

C13H26O2

MMD1
569

Anthracen

C14H10

MMD1
570

Phenanthren

C14H10

MMD1
571

Dibenzoyl-peroxid (DBPO)

C14H10O4

DFT1
572

trans/cis-Stilben (Konfigurationsisomere)

C14H12

DFT2
573

Stilben-epoxide (2,3-Diphenyl-oxiran) Konfigurationsisomere

C14H12O

MMD3
574

trans/cis-Resveratrol (Konfigurationsisomere)

C14H12O3

DFT2
575

Primärozonid-trans-Stilben

C14H12O3

DFT1
576

Sekundärozonid-trans-Stilben

C14H12O3

DFT1
577

1,2-Diphenyl-ethan-1,2-diole (Konfigurationsisomere)

C14H14O2

MMD3
578

S-Naproxen

C14H14O3

DFT1
579

p-Dimethylamino-azobenzen

C14H15N3

DFT1
580

Aspartam (Zwitterion)

C14H18N2O5

MMD1
581

Dichlordiphenyltrichlorethan (DDT)

C14H19Cl5

MMD1
582

[(1S,2R)-2-Ethylcyclohexyl]-benzen

C14H20

MMD1
583

Gephyromantolid A ( (3S,7E,11R)-3,7,11-Trimethyl-1-oxacyclododec-7-en-2-one)

C14H24O2

DFT1
584

Myristinsäure

C14H28O2

MMD1
585

1,3,6-Trihydroxy-2-methylanthrachinon (Anthrachinon-Farbstoff)

C15H10O5

DFT1
586

3-Methoxychrysazin (Anthrachinon-Farbstoff)

C15H10O5

DFT1
587

3-Methylpurpurin (Anthrachinon-Farbstoff)

C15H10O5

DFT1
588

8-Hydroxyrubiadin (Anthrachinon-Farbstoff)

C15H10O5

DFT1
589

Purpurin-1-methylether (Anthrachinon-Farbstoff)

C15H10O5

DFT1
590

Fluorenyl-methoxy-carbonylchlorid (Fmoc)

C15H11ClO2

MMD1
591

Pelargonidin

C15H11O5+

DFT1
592

Benzoxepin166a

C15H14N2O2

DFT1
593

Bisphenol-A (4-[2-(4-hydroxyphenyl)-propan-2-yl]phenol)

C15H1602

DFT1
594

(-)-Artemisin

C15H18O4

MMD1
595

1-(Diphenylmethyl)-1,1/2,2-dimethyl-hydrazinium

C15H19N2+

MMD2
596

Arborescin

C15H20O3

MMD1
597

Abscisinsäure

C15H20O4

MMD1
598

Alprenolol (beta-Rezeptoren-Blocker)

C15H23N02

DFT1
599

Actidion

C15H23NO4

MMD1
600

alpha-Caryophyllen

C15H24

MMD1
601

beta-Caryophyllen

C15H24

MMD1
602

Butylated hydroxy toluene (BHT Antioxidans)

C15H24O

MMD1
603

(-)-Spartein (Alkaloid)

C15H26N2

MMD1
604

Cyclopentadecanon (Exalton)

C15H28O

MMD1
605

Pentadecansäure

C15H30O2

MMD1
606

Sucrose (Sarcosin)

C15H31NO14

X1
607

Pyridiniumcyclopentadienylid31a

C16H5Br2N5

DFT1
608

6,6'-Dibromindigo (Purpur)

C16H8Br2N2O2

X1
609

Pyren

C16H10

MMD1
610

Indigo

C16H10N2O2

AM11
611

1-Phenyl-naphthalin

C16H12

MMD1
612

Gelborange (Ponceau 26, Azofarbstoff, Phenylhydrazon) (Tautomere)

C16H12N2O

MMD2
613

4-Hydroxydigitolutein (Anthrachinon-Farbstoff)

C16H12O5

DFT1
614

5-Hydroxydigitolutein (Anthrachinon-Farbstoff)

C16H12O5

DFT1
615

Valium

C16H13ClN2

MMD1
616

Münchnon

C16H13NO2

MMD1
617

Cardamonin

C16H14O4

MMD1
618

Alkannin (Shikonin)

C16H16O5

MMD1
619

S-Alizaprid

C16H21N5O2

MMD1
620

Benzyl-phenyl-(trimethylsilyloxy)-sulfoxonium-ylid

C16H22O2SSi

DFT1
621

Ambroxan (Sesquiterpenoider Naturstoff) (Enantiomere)

C16H28O

MMD2
622

R-(-)-Muscon ((3R)-3-Methylcyclopentadecan-1-on)

C16H30O

MMD1
623

Palmitinsäure (Hexadecansäure)

C16H32O2

MMD1
624

Spiroverbindung63

C17H8N2S3

DFT1
625

Aflatoxin B1

C17H12O6

MMD1
626

Aloe-emodin-omega-acetat (Anthrachinon-Farbstoff)

C17H12O6

DFT1
627

Dibenzyliden-aceton ((1E,4E)-1,5-Diphenylpenta-1,4-dien-3-on)

C17H14O

MMD1
628

Morphin

C17H19NO3

MMD1
629

Merocyanin HM 1

C17H15NO

DFT1
630

Vitamin B2

C17H22N4O6

MMD1
631

Zibeton ((9Z)-Cycloheptadec-9-en-1-on)

C17H30O

MMD1
632

Ruhemanns Blau (Aminosäuren-Nachweis)

C18H8NO4-

DFT1
633

Chinolingelb

C18H11NO2

DFT1
634

Chrysen

C18H12

MMD1
635

Tetracen

C18H12

MMD1
636

Amidonaphtholrot G

C18H13N3O8S22-

MMD1
637

Azachromophor-B-69

C18H16NO

DFT1
638

Codein

C18H21NO3

MMD1
639

Alimemazin

C18H22N2S

MMD1
640

Östradiol

C18H24O2

MMD1
641

Linolensäure ((9Z,12Z,15Z)-Octadeca-9,12,15-triensäure)

C18H30O2

MMD1
642

Linolsäure ((9Z,12Z)-Octadeca-9,12-diensäure)

C18H32O2

MMD1
643

Ölsäure ((9Z)-Octadec-9-ensäure)

C18H34O2

MMD1
644

Stearinsäure (Octadecansäure)

C18H36O2

MMD1
645

Sphingosin

C18H37NO2

MMD1
646

Merocyanin-Salz (2-​[2-​(2-​hydroxy-​5-​nitrophenyl)​ethenyl]​-​1,​3,​3-​trimethyl-​3H-​Indolium; Zwitterion)

C19H18N2O3

MMD1
647

Spiropyran

C19H18N2O3

MMD1
648

Folat (Folsäure-monoglutamat)

C19H18N7O6

MMD1
649

Guanin-Cytosin DNA Paar

C19H24N8O14P2

X1
650

Histrionicotoxin

C19H25NO

X1
651

Testosteron

C19H28O2

MMD1
652

Benzo[a]pyren

C20H12

MMD1
653

Azorubin (Dianion) (Tautomere)

C20H12N2O7S22-

MMD2
654

Fluorescein

C20H12O5

MMD1
655

Benzo[a]pyren - Oxidationsprodukt

C20H14O3

MMD1
656

Semibullvalen51

C20H20O12

DFT1
657

Isothiouronium 22 ((11S)-10-(4-fluorophenoxycarbonyl)-11-(propan-2-yl)-8-thia-1-lambda{5},10-diazatricyclo[7.4.0.0{2,7}]trideca-1(9),2,4,6-tetraen-1-ylium)

C20H20FN2O2S+

MMD1
658

Fuchsin (Triarylmethylium-Farbstoff)

C20H20N3+

MMD1
659

Adenosin-Thymin DNA Paar

C20H25N7O14P2

X1
660

Amygdalin

C20H27NO11

X1
661

Retinol

C20H30O

AM11
662

Abietinsäure (Sylvinsäure)

C20H30O2

MMD1
663

Peptid (alpha-Helix, Glycin-Helix, N-gly-gly-gly-gly-gly-gly-gly-gly-gly-gly-CO)

C20H32N10O11

MMD1
664

Tetrapeptid (Valin-Valin-Valin-Valin, N-val-val-val-val-CO)

C20H38N4O5

DFT1
665

Ajmalicin

C21H24N2O3

MMD1
666

Aldosteron

C21H28O5

MMD1
667

Allylestrenol

C21H32O

MMD1
668

Alfentanil (Narkoanalgetikum)

C21H32N6O3

MMD1
669

Alfaxolon

C21H32O3

MMD1
670

Azatricyclononan196

C22H26N2

DFT1
671

Amidoschwarz 10B

C22H14N6O9S22-

MMD1
672

Amikacin (Antibiotikum)

C22H43N5O13

MMD1
673

Alfadolon

C23H34O5

MMD1
674

Triarylphosphinoxid-W6 (2-{bis[2,6-bis(difluoromethyl)phenyl]-phosphoroso}-1,3-bis(difluoromethyl)-benzene)

C24H15F12OP

MMD1
675

Pentamethincyanin-Kation

C25H29N2+

MMD1
676

Phosphoniovinamidium166

C25H29N2P

DFT1
677

Tetraazaannulen31

C26H16N8

DFT1
678

Almitrin

C26H29F2N7

DFT1
679

Alfacalcidol

C27H44O2

MMD1
680

Mifegyne

C28H33NO2

AM11
681

Amcinonid (Glukocorticoid)

C28H35FO7

MMD1
682

Vitamin D2

C28H44O

MMD1
683

Vitamin E

C29H50O2

MMD1
684

Absinthin

C30H40O6

MMD1
685

Squalen

C30H50

MMD1
686

Hexapeptid (Valin-Valin-Valin-Valin-Valin-Valin, N-val-val-val-val-val-val-CO)

C30H56N6O7

DFT1
687

Abietospiran

C31H48O4

MMD1
688

Batrachotoxin (Froschgift)

C32H44N2O6

MMD1
689

Lopinavir

C37H48N4O5

MMD1
690

Lycopin

C40H56

MMD1
691

beta-Carotin

C40H58

DFT1
692

Pentaphenyl-pyridinio-phenolat (Solvatochromie-Farbstoff ET(30))

C41H29NO

DFT1
693

Pentaphenyl-pyridinio-phenolat (Solvatochromie-Farbstoff ET(30))

C41H29NO

X1
694

Cyclodextrin * 18 H2O

C48H80O40

X1
695

Corrol (7,13-Dimethyl-2,3,8,12,17,18-hexaethyl-corrol)

C50H60N6

X1
696

[2,1,2,1]Metacyclophane-tetralone

C50H60O8

X1
697

Triglycerid-M

C57H98O6

X1
698

C60-Fulleren

C60

X1
699

C70-Fulleren

C70

X1
700

Cyanocobalamin (Vitamin B12 Derivat)

C75H106CoN16O16P

X1
701

C80-Fulleren

C80

X1
702

Protein 1HJN

C544H814N153O171S9

X1
703

Wasserstoff

H2

DFT1
704

Wasser

H2O

DFT1
705

Eis (Teilstruktur mit Wasserstoffbrücken)

(H2O)5

X1
706

Eis (Ih)

(H2O)n

X1
707

Wasserstoffperoxid

H2O2

DFT1
708

Borsäure (B(OH)3)

H3BO3

DFT1
709

Ammoniak (NH3)

H3N

DFT1
710

Diboran (B2H6)

H6B2

DFT1
711

Aluminiumhexafluorid (Trianion)

AlF63-

X1
712

Gelbes Arsen (Tetraarsan, Arsen-Tetraeder)

As4

DFT1
713

Bortrifluorid (Trifluorboran)

BF3

DFT1
714

Chlor

Cl2

DFT1
715

Tetrachlor-iodid

Cl4I-

X1
716

Chlorat

ClO3-

DFT1
717

Perchlorat

ClO4-

DFT1
718

Thionylchlorid (Sulfurooyldichlorid, SOCl2)

Cl2OS

DFT1
719

Sulfonylchlorid (Sulfuroyldichlorid, SO2Cl2)

Cl2O2S

DFT1
720

Thionylfluorid (Sulfurooyldifluorid, SOF2)

F2OS

DFT1
721

Iod

I2

MMD1
722

Nitrit

NO2-

DFT1
723

Nitrat

NO3-

DFT1
724

Stickstoff

N2

DFT1
725

Distickstoffoxid (Lachgas)

N2O

DFT1
726

Schwefeldioxid (SO2)

O2S

DFT1
727

Ozon

O3

DFT1
728

Schwefeltrioxid (SO3)

O3S

DFT1
729

Sulfit (SO32-)

O3S2-

DFT1
730

Phosphat (PO43-)

O4P3-

DFT1
731

Sulfat (SO42-)

O4S2-

DFT1
732

Schwefelhexafluorid

SF6

DFT1
733

Schwefel

S8

X1
734

endo/exo Schwefel-oxid (Konformere)

S8O

DFT2
735

Mono-Silan

SiH4

MMD1