CAS RN: 35966-15-5
CAS Name: 2,4-dinitro-1-(phenylmethyl)sulfinylbenzene
OPENEYE Name: 1-benzylsulfinyl-2,4-dinitro-benzene
IUPAC Name: 1-benzylsulfinyl-2,4-dinitrobenzene
SYSTEMATIC NAME: 2,4-dinitro-1-(phenylmethyl)sulfinyl-benzene
MOLECULAR FORMULA: C13H10N2O5S
MOLECULAR WEIGHT: 306.2939
SMILES: C1=CC=C(C=C1)CS(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 20208-81-5
CAS Name: 1-[(4-methylphenyl)thio]-2,4-dinitrobenzene
OPENEYE Name: 2,4-dinitro-1-(p-tolylsulfanyl)benzene
IUPAC Name: 1-(4-methylphenyl)sulfanyl-2,4-dinitrobenzene
SYSTEMATIC NAME: 1-(4-methylphenyl)sulfanyl-2,4-dinitro-benzene
MOLECULAR FORMULA: C13H10N2O4S
MOLECULAR WEIGHT: 290.2945
SMILES: CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 40279-65-0
CAS Name: 2-(4-chlorophenyl)sulfinylacetic acid
OPENEYE Name: 2-(4-chlorophenyl)sulfinylacetic acid
IUPAC Name: 2-(4-chlorophenyl)sulfinylacetic acid
SYSTEMATIC NAME: 2-(4-chlorophenyl)sulfinylethanoic acid
MOLECULAR FORMULA: C8H7ClO3S
MOLECULAR WEIGHT: 218.65738
SMILES: C1=CC(=CC=C1S(=O)CC(=O)O)Cl
Structure:
CAS RN: 33948-36-6
CAS Name: 2-(phenylmethylthio)-4,5-dihydrothiazole
OPENEYE Name: 2-benzylsulfanyl-4,5-dihydrothiazole
IUPAC Name: 2-benzylsulfanyl-4,5-dihydro-1,3-thiazole
SYSTEMATIC NAME: 2-(phenylmethylsulfanyl)-4,5-dihydro-1,3-thiazole
MOLECULAR FORMULA: C10H11NS2
MOLECULAR WEIGHT: 209.33104
SMILES: C1CSC(=N1)SCC2=CC=CC=C2
Structure:
CAS RN: 51688-27-8
CAS Name: 1,1-dioxo-1,3-thiazinan-2-one
OPENEYE Name: 1,1-dioxo-1,3-thiazinan-2-one
IUPAC Name: 1,1-dioxo-1,3-thiazinan-2-one
SYSTEMATIC NAME: 1,1-bis(oxidanylidene)-1,3-thiazinan-2-one
MOLECULAR FORMULA: C4H7NO3S
MOLECULAR WEIGHT: 149.16828
SMILES: C1CNC(=O)S(=O)(=O)C1
Structure:
CAS RN: 75803-36-0
CAS Name: 1-(1-cyclohexenyl)-4-(trifluoromethyl)benzene
OPENEYE Name: 1-(cyclohexen-1-yl)-4-(trifluoromethyl)benzene
IUPAC Name: 1-(cyclohexen-1-yl)-4-(trifluoromethyl)benzene
SYSTEMATIC NAME: 1-(cyclohexen-1-yl)-4-(trifluoromethyl)benzene
MOLECULAR FORMULA: C13H13F3
MOLECULAR WEIGHT: 226.23753
SMILES: C1CCC(=CC1)C2=CC=C(C=C2)C(F)(F)F
Structure:
CAS RN: 83964-62-9
CAS Name: 1-(1-cyclopentenyl)-4-methylbenzene
OPENEYE Name: 1-(cyclopenten-1-yl)-4-methyl-benzene
IUPAC Name: 1-(cyclopenten-1-yl)-4-methylbenzene
SYSTEMATIC NAME: 1-(cyclopenten-1-yl)-4-methyl-benzene
MOLECULAR FORMULA: C12H14
MOLECULAR WEIGHT: 158.23956
SMILES: CC1=CC=C(C=C1)C2=CCCC2
Structure:
CAS RN: 79448-04-7
CAS Name: 1-(4-chlorophenyl)-1-cyclopentanol
OPENEYE Name: 1-(4-chlorophenyl)cyclopentanol
IUPAC Name: 1-(4-chlorophenyl)cyclopentan-1-ol
SYSTEMATIC NAME: 1-(4-chlorophenyl)cyclopentan-1-ol
MOLECULAR FORMULA: C11H13ClO
MOLECULAR WEIGHT: 196.67332
SMILES: C1CCC(C1)(C2=CC=C(C=C2)Cl)O
Structure:
CAS RN: 934-10-1
CAS Name: but-3-en-2-ylbenzene
OPENEYE Name: 1-methylallylbenzene
IUPAC Name: but-3-en-2-ylbenzene
SYSTEMATIC NAME: but-3-en-2-ylbenzene
MOLECULAR FORMULA: C10H12
MOLECULAR WEIGHT: 132.20228
SMILES: CC(C=C)C1=CC=CC=C1
Structure:
CAS RN: 34210-25-8
CAS Name: 7-bicyclo[6.1.0]nonanol
OPENEYE Name: bicyclo[6.1.0]nonan-7-ol
IUPAC Name: bicyclo[6.1.0]nonan-7-ol
SYSTEMATIC NAME: bicyclo[6.1.0]nonan-7-ol
MOLECULAR FORMULA: C9H16O
MOLECULAR WEIGHT: 140.22274
SMILES: C1CCC2CC2C(CC1)O
Structure:
CAS RN: 38736-77-5
CAS Name: 7-bicyclo[6.1.0]nonanol
OPENEYE Name: bicyclo[6.1.0]nonan-7-ol
IUPAC Name: bicyclo[6.1.0]nonan-7-ol
SYSTEMATIC NAME: bicyclo[6.1.0]nonan-7-ol
MOLECULAR FORMULA: C9H16O
MOLECULAR WEIGHT: 140.22274
SMILES: C1CCC2CC2C(CC1)O
Structure:
CAS RN: 1883-91-6
CAS Name: 2-hydroxy-1-cyclopentanecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-hydroxycyclopentanecarboxylate
IUPAC Name: ethyl 2-hydroxycyclopentane-1-carboxylate
SYSTEMATIC NAME: ethyl 2-oxidanylcyclopentane-1-carboxylate
MOLECULAR FORMULA: C8H14O3
MOLECULAR WEIGHT: 158.19496
SMILES: CCOC(=O)C1CCCC1O
Structure:
CAS RN: 7346-46-5
CAS Name: 3-(2-chlorophenyl)-2-cyanopropanoic acid methyl ester
OPENEYE Name: methyl 3-(2-chlorophenyl)-2-cyano-propanoate
IUPAC Name: methyl 3-(2-chlorophenyl)-2-cyanopropanoate
SYSTEMATIC NAME: methyl 3-(2-chlorophenyl)-2-cyano-propanoate
MOLECULAR FORMULA: C11H10ClNO2
MOLECULAR WEIGHT: 223.6556
SMILES: COC(=O)C(CC1=CC=CC=C1Cl)C#N
Structure:
CAS RN: 16056-77-2
CAS Name: dibromomethylsulfonylbenzene
OPENEYE Name: dibromomethylsulfonylbenzene
IUPAC Name: dibromomethylsulfonylbenzene
SYSTEMATIC NAME: bis(bromanyl)methylsulfonylbenzene
MOLECULAR FORMULA: C7H6Br2O2S
MOLECULAR WEIGHT: 313.99434
SMILES: C1=CC=C(C=C1)S(=O)(=O)C(Br)Br
Structure:
CAS RN: 72606-73-6
CAS Name: 4-nitro-N'-[(4-nitrophenyl)-oxomethyl]-N'-phenylbenzohydrazide
OPENEYE Name: 4-nitro-N'-(4-nitrobenzoyl)-N'-phenyl-benzohydrazide
IUPAC Name: 4-nitro-N'-(4-nitrobenzoyl)-N'-phenylbenzohydrazide
SYSTEMATIC NAME: 4-nitro-N'-(4-nitrophenyl)carbonyl-N'-phenyl-benzohydrazide
MOLECULAR FORMULA: C20H14N4O6
MOLECULAR WEIGHT: 406.34836
SMILES: C1=CC=C(C=C1)N(C(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 43087-79-2
CAS Name: 4-[(2,3-dimethoxyphenyl)methylidene]-2-phenyl-5-oxazolone
OPENEYE Name: 4-[(2,3-dimethoxyphenyl)methylene]-2-phenyl-oxazol-5-one
IUPAC Name: 4-[(2,3-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
SYSTEMATIC NAME: 4-[(2,3-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
MOLECULAR FORMULA: C18H15NO4
MOLECULAR WEIGHT: 309.316
SMILES: COC1=CC=CC(=C1OC)C=C2C(=O)OC(=N2)C3=CC=CC=C3
Structure:
CAS RN: 81104-53-2
CAS Name: 1,2-bis[(4-methoxyphenyl)methyl]hydrazine
OPENEYE Name: 1,2-bis[(4-methoxyphenyl)methyl]hydrazine
IUPAC Name: 1,2-bis[(4-methoxyphenyl)methyl]hydrazine
SYSTEMATIC NAME: 1,2-bis[(4-methoxyphenyl)methyl]diazane
MOLECULAR FORMULA: C16H20N2O2
MOLECULAR WEIGHT: 272.3422
SMILES: COC1=CC=C(C=C1)CNNCC2=CC=C(C=C2)OC
Structure:
CAS RN: 82408-63-7
CAS Name: 1,2-bis[(4-methoxyphenyl)methyl]hydrazine
OPENEYE Name: 1,2-bis[(4-methoxyphenyl)methyl]hydrazine
IUPAC Name: 1,2-bis[(4-methoxyphenyl)methyl]hydrazine
SYSTEMATIC NAME: 1,2-bis[(4-methoxyphenyl)methyl]diazane
MOLECULAR FORMULA: C16H20N2O2
MOLECULAR WEIGHT: 272.3422
SMILES: COC1=CC=C(C=C1)CNNCC2=CC=C(C=C2)OC
Structure:
CAS RN: 93024-24-9
CAS Name: 1,2-bis[(4-chlorophenyl)methyl]hydrazine
OPENEYE Name: 1,2-bis[(4-chlorophenyl)methyl]hydrazine
IUPAC Name: 1,2-bis[(4-chlorophenyl)methyl]hydrazine
SYSTEMATIC NAME: 1,2-bis[(4-chlorophenyl)methyl]diazane
MOLECULAR FORMULA: C14H14Cl2N2
MOLECULAR WEIGHT: 281.18036
SMILES: C1=CC(=CC=C1CNNCC2=CC=C(C=C2)Cl)Cl
Structure:
CAS RN: 5133-48-2
CAS Name: 1,2-bis[(4-chlorophenyl)methyl]hydrazine
OPENEYE Name: 1,2-bis[(4-chlorophenyl)methyl]hydrazine
IUPAC Name: 1,2-bis[(4-chlorophenyl)methyl]hydrazine
SYSTEMATIC NAME: 1,2-bis[(4-chlorophenyl)methyl]diazane
MOLECULAR FORMULA: C14H14Cl2N2
MOLECULAR WEIGHT: 281.18036
SMILES: C1=CC(=CC=C1CNNCC2=CC=C(C=C2)Cl)Cl
Structure:
CAS RN: 66872-77-3
CAS Name: 5-cyclohexylideneimidazolidine-2,4-dione
OPENEYE Name: 5-cyclohexylideneimidazolidine-2,4-dione
IUPAC Name: 5-cyclohexylideneimidazolidine-2,4-dione
SYSTEMATIC NAME: 5-cyclohexylideneimidazolidine-2,4-dione
MOLECULAR FORMULA: C9H12N2O2
MOLECULAR WEIGHT: 180.20378
SMILES: C1CCC(=C2C(=O)NC(=O)N2)CC1
Structure:
CAS RN: 2534-90-9
CAS Name: 3-bromo-4-bicyclo[2.2.1]heptanecarboxylic acid
OPENEYE Name: 2-bromonorbornane-1-carboxylic acid
IUPAC Name: 3-bromobicyclo[2.2.1]heptane-4-carboxylic acid
SYSTEMATIC NAME: 3-bromanylbicyclo[2.2.1]heptane-4-carboxylic acid
MOLECULAR FORMULA: C8H11BrO2
MOLECULAR WEIGHT: 219.07574
SMILES: C1CC2(CC1CC2Br)C(=O)O
Structure:
CAS RN: 13436-49-2
CAS Name: 1-(1-indazolyl)ethanone
OPENEYE Name: 1-indazol-1-ylethanone
IUPAC Name: 1-indazol-1-ylethanone
SYSTEMATIC NAME: 1-indazol-1-ylethanone
MOLECULAR FORMULA: C9H8N2O
MOLECULAR WEIGHT: 160.17262
SMILES: CC(=O)N1C2=CC=CC=C2C=N1
Structure:
CAS RN: 13465-61-7
CAS Name: 1-(1-indazolyl)ethanone
OPENEYE Name: 1-indazol-1-ylethanone
IUPAC Name: 1-indazol-1-ylethanone
SYSTEMATIC NAME: 1-indazol-1-ylethanone
MOLECULAR FORMULA: C9H8N2O
MOLECULAR WEIGHT: 160.17262
SMILES: CC(=O)N1C2=CC=CC=C2C=N1
Structure:
CAS RN: 18705-39-0
CAS Name: N-[[4-(nitrosomethylidene)-1-cyclohexa-2,5-dienylidene]methyl]hydroxylamine
OPENEYE Name: N-[[4-(nitrosomethylene)cyclohexa-2,5-dien-1-ylidene]methyl]hydroxylamine
IUPAC Name: N-[[4-(nitrosomethylidene)cyclohexa-2,5-dien-1-ylidene]methyl]hydroxylamine
SYSTEMATIC NAME: N-[[4-(nitrosomethylidene)cyclohexa-2,5-dien-1-ylidene]methyl]hydroxylamine
MOLECULAR FORMULA: C8H8N2O2
MOLECULAR WEIGHT: 164.16132
SMILES: C1=CC(=CN=O)C=CC1=CNO
Structure:
CAS RN: 18789-52-1
CAS Name: N-[[4-(nitrosomethylidene)-1-cyclohexa-2,5-dienylidene]methyl]hydroxylamine
OPENEYE Name: N-[[4-(nitrosomethylene)cyclohexa-2,5-dien-1-ylidene]methyl]hydroxylamine
IUPAC Name: N-[[4-(nitrosomethylidene)cyclohexa-2,5-dien-1-ylidene]methyl]hydroxylamine
SYSTEMATIC NAME: N-[[4-(nitrosomethylidene)cyclohexa-2,5-dien-1-ylidene]methyl]hydroxylamine
MOLECULAR FORMULA: C8H8N2O2
MOLECULAR WEIGHT: 164.16132
SMILES: C1=CC(=CN=O)C=CC1=CNO
Structure:
CAS RN: 511-05-7
CAS Name: 6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
OPENEYE Name: 6-hydroxy-7-isopropyl-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
IUPAC Name: 6-hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
SYSTEMATIC NAME: 1,1,4a-trimethyl-6-oxidanyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
MOLECULAR FORMULA: C20H28O2
MOLECULAR WEIGHT: 300.43512
SMILES: CC(C)C1=C(C=C2C(=C1)C(=O)CC3C2(CCCC3(C)C)C)O
Structure:
CAS RN: 19115-57-2
CAS Name: (4bS,8aS,9S)-4,9-dihydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7,8a,9-tetrahydro-5H-phenanthren-3-one
OPENEYE Name: (4bS,8aS,9S)-4,9-dihydroxy-2-isopropyl-4b,8,8-trimethyl-6,7,8a,9-tetrahydro-5H-phenanthren-3-one
IUPAC Name: (4bS,8aS,9S)-4,9-dihydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7,8a,9-tetrahydro-5H-phenanthren-3-one
SYSTEMATIC NAME: (4bS,8aS,9S)-4b,8,8-trimethyl-4,9-bis(oxidanyl)-2-propan-2-yl-6,7,8a,9-tetrahydro-5H-phenanthren-3-one
MOLECULAR FORMULA: C20H28O3
MOLECULAR WEIGHT: 316.43452
SMILES: CC(C)C1=CC2=C[C@@H]([C@@H]3[C@@](C2=C(C1=O)O)(CCCC3(C)C)C)O
Structure:
CAS RN: 19039-02-2
CAS Name: (4bS,8aS,9S)-4,9-dihydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7,8a,9-tetrahydro-5H-phenanthren-3-one
OPENEYE Name: (4bS,8aS,9S)-4,9-dihydroxy-2-isopropyl-4b,8,8-trimethyl-6,7,8a,9-tetrahydro-5H-phenanthren-3-one
IUPAC Name: (4bS,8aS,9S)-4,9-dihydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7,8a,9-tetrahydro-5H-phenanthren-3-one
SYSTEMATIC NAME: (4bS,8aS,9S)-4b,8,8-trimethyl-4,9-bis(oxidanyl)-2-propan-2-yl-6,7,8a,9-tetrahydro-5H-phenanthren-3-one
MOLECULAR FORMULA: C20H28O3
MOLECULAR WEIGHT: 316.43452
SMILES: CC(C)C1=CC2=C[C@@H]([C@@H]3[C@@](C2=C(C1=O)O)(CCCC3(C)C)C)O
Structure:
CAS RN: 19026-31-4
CAS Name: 4-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthrene-3,9-dione
OPENEYE Name: 4-hydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a-tetrahydrophenanthrene-3,9-dione
IUPAC Name: 4-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthrene-3,9-dione
SYSTEMATIC NAME: 4b,8,8-trimethyl-4-oxidanyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthrene-3,9-dione
MOLECULAR FORMULA: C20H26O3
MOLECULAR WEIGHT: 314.41864
SMILES: CC(C)C1=CC2=CC(=O)C3C(CCCC3(C2=C(C1=O)O)C)(C)C
Structure:
CAS RN: 6812-87-9
CAS Name: 1-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4-dione
OPENEYE Name: 1-hydroxy-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4-dione
IUPAC Name: 1-hydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4-dione
SYSTEMATIC NAME: 4b,8,8-trimethyl-1-oxidanyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4-dione
MOLECULAR FORMULA: C20H28O3
MOLECULAR WEIGHT: 316.43452
SMILES: CC(C)C1=C(C2=C(C(=O)C1=O)C3(CCCC(C3CC2)(C)C)C)O
Structure:
CAS RN: 59089-89-3
CAS Name: 5-cyano-4-methyl-6-oxo-1H-pyridine-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 5-cyano-4-methyl-6-oxo-1H-pyridine-2-carboxylate
IUPAC Name: ethyl 5-cyano-4-methyl-6-oxo-1H-pyridine-2-carboxylate
SYSTEMATIC NAME: ethyl 5-cyano-4-methyl-6-oxidanylidene-1H-pyridine-2-carboxylate
MOLECULAR FORMULA: C10H10N2O3
MOLECULAR WEIGHT: 206.198
SMILES: CCOC(=O)C1=CC(=C(C(=O)N1)C#N)C
Structure:
CAS RN: 27486-77-7
CAS Name: 2-amino-3-(9H-fluoren-9-ylthio)propanoic acid
OPENEYE Name: 2-amino-3-(9H-fluoren-9-ylsulfanyl)propanoic acid
IUPAC Name: 2-amino-3-(9H-fluoren-9-ylsulfanyl)propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-(9H-fluoren-9-ylsulfanyl)propanoic acid
MOLECULAR FORMULA: C16H15NO2S
MOLECULAR WEIGHT: 285.3608
SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)SCC(C(=O)O)N
Structure:
CAS RN: 27246-39-5
CAS Name: 2,5-bis(4-butylphenyl)-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-bis(4-butylphenyl)-3,6-dihydroxy-1,4-benzoquinone
IUPAC Name: 2,5-bis(4-butylphenyl)-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-bis(4-butylphenyl)-3,6-bis(oxidanyl)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C26H28O4
MOLECULAR WEIGHT: 404.49812
SMILES: CCCCC1=CC=C(C=C1)C2=C(C(=O)C(=C(C2=O)O)C3=CC=C(C=C3)CCCC)O
Structure:
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