CAS RN: 28519-34-8
CAS Name: 1-(dodecylthio)sulfonyl-4-methylbenzene
OPENEYE Name: 1-dodecylsulfanylsulfonyl-4-methyl-benzene
IUPAC Name: 1-dodecylsulfanylsulfonyl-4-methylbenzene
SYSTEMATIC NAME: 1-dodecylsulfanylsulfonyl-4-methyl-benzene
MOLECULAR FORMULA: C19H32O2S2
MOLECULAR WEIGHT: 356.58618
SMILES: CCCCCCCCCCCCSS(=O)(=O)C1=CC=C(C=C1)C
Structure:
CAS RN: 53291-36-4
CAS Name: 1-[(methylsulfonylthio)methyl]-4-nitrobenzene
OPENEYE Name: 1-(methylsulfonylsulfanylmethyl)-4-nitro-benzene
IUPAC Name: 1-(methylsulfonylsulfanylmethyl)-4-nitrobenzene
SYSTEMATIC NAME: 1-(methylsulfonylsulfanylmethyl)-4-nitro-benzene
MOLECULAR FORMULA: C8H9NO4S2
MOLECULAR WEIGHT: 247.29136
SMILES: CS(=O)(=O)SCC1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 4954-06-7
CAS Name: acetic acid (17-acetyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl) ester
OPENEYE Name: (17-acetyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
IUPAC Name: (17-acetyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
SYSTEMATIC NAME: (17-ethanoyl-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl) ethanoate
MOLECULAR FORMULA: C23H32O3
MOLECULAR WEIGHT: 356.49838
SMILES: CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(=C4)OC(=O)C)C)C
Structure:
CAS RN: 2691-68-1
CAS Name: 3-hydroxy-10,13-dimethyl-1,2,3,4,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
OPENEYE Name: 3-hydroxy-10,13-dimethyl-1,2,3,4,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
IUPAC Name: 3-hydroxy-10,13-dimethyl-1,2,3,4,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
SYSTEMATIC NAME: 10,13-dimethyl-3-oxidanyl-1,2,3,4,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-one
MOLECULAR FORMULA: C19H26O2
MOLECULAR WEIGHT: 286.40854
SMILES: CC12CCC3C(=CC=C4C3(CCC(C4)O)C)C1CCC2=O
Structure:
CAS RN: 21823-71-2
CAS Name: 2-hydroxy-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-hydroxy-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate
IUPAC Name: ethyl 2-hydroxy-3-oxo-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate
SYSTEMATIC NAME: ethyl 2-oxidanyl-3-oxidanylidene-1,2,5,6,7,8-hexahydropyrrolizine-1-carboxylate
MOLECULAR FORMULA: C10H15NO4
MOLECULAR WEIGHT: 213.2304
SMILES: CCOC(=O)C1C2CCCN2C(=O)C1O
Structure:
CAS RN: 21937-04-2
CAS Name: 1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol
OPENEYE Name: 1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol
IUPAC Name: 1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol
SYSTEMATIC NAME: 1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol
MOLECULAR FORMULA: C8H15NO2
MOLECULAR WEIGHT: 157.2102
SMILES: C1CC2C(C(CN2C1)O)CO
Structure:
CAS RN: 21823-73-4
CAS Name: 1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol
OPENEYE Name: 1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol
IUPAC Name: 1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol
SYSTEMATIC NAME: 1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol
MOLECULAR FORMULA: C8H15NO2
MOLECULAR WEIGHT: 157.2102
SMILES: C1CC2C(C(CN2C1)O)CO
Structure:
CAS RN: 6945-82-0
CAS Name: (4-methoxyphenyl)-phenyl-pyridin-4-ylmethanol
OPENEYE Name: (4-methoxyphenyl)-phenyl-(4-pyridyl)methanol
IUPAC Name: (4-methoxyphenyl)-phenyl-pyridin-4-ylmethanol
SYSTEMATIC NAME: (4-methoxyphenyl)-phenyl-pyridin-4-yl-methanol
MOLECULAR FORMULA: C19H17NO2
MOLECULAR WEIGHT: 291.34378
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=NC=C3)O
Structure:
CAS RN: 2735-82-2
CAS Name: 2,3-dihydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 2,3-dihydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate
IUPAC Name: dimethyl 2,3-dihydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate
SYSTEMATIC NAME: dimethyl 6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-2,3-bis(oxidanyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate
MOLECULAR FORMULA: C32H50O7
MOLECULAR WEIGHT: 546.7352
SMILES: CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)OC)O)O)C)C)C2C1)CO)C(=O)OC)C
Structure:
CAS RN: 30117-77-2
CAS Name: N-[4-(1-indenylidenemethyl)phenyl]azo-N-methylmethanamine
OPENEYE Name: N-[4-(inden-1-ylidenemethyl)phenyl]azo-N-methyl-methanamine
IUPAC Name: N-[[4-(inden-1-ylidenemethyl)phenyl]diazenyl]-N-methylmethanamine
SYSTEMATIC NAME: N-[[4-(inden-1-ylidenemethyl)phenyl]diazenyl]-N-methyl-methanamine
MOLECULAR FORMULA: C18H17N3
MOLECULAR WEIGHT: 275.34768
SMILES: CN(C)N=NC1=CC=C(C=C1)C=C2C=CC3=CC=CC=C32
Structure:
CAS RN: 111712-16-4
CAS Name: 2-cyanononanoic acid ethyl ester
OPENEYE Name: ethyl 2-cyanononanoate
IUPAC Name: ethyl 2-cyanononanoate
SYSTEMATIC NAME: ethyl 2-cyanononanoate
MOLECULAR FORMULA: C12H21NO2
MOLECULAR WEIGHT: 211.30064
SMILES: CCCCCCCC(C#N)C(=O)OCC
Structure:
CAS RN: 24041-98-3
CAS Name: 1-(9H-fluoren-2-yl)-6,7-dimethoxy-3,4-dihydro-1H-2-benzopyran-3-one
OPENEYE Name: 1-(9H-fluoren-2-yl)-6,7-dimethoxy-isochroman-3-one
IUPAC Name: 1-(9H-fluoren-2-yl)-6,7-dimethoxy-1,4-dihydroisochromen-3-one
SYSTEMATIC NAME: 1-(9H-fluoren-2-yl)-6,7-dimethoxy-1,4-dihydroisochromen-3-one
MOLECULAR FORMULA: C24H20O4
MOLECULAR WEIGHT: 372.4132
SMILES: COC1=C(C=C2C(OC(=O)CC2=C1)C3=CC4=C(C=C3)C5=CC=CC=C5C4)OC
Structure:
CAS RN: 97288-09-0
CAS Name: 3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)propanenitrile
OPENEYE Name: 3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)propanenitrile
IUPAC Name: 3-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)propanenitrile
SYSTEMATIC NAME: 3-(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)propanenitrile
MOLECULAR FORMULA: C13H13N3O
MOLECULAR WEIGHT: 227.26182
SMILES: CC1=NN(C(=O)C1CCC#N)C2=CC=CC=C2
Structure:
CAS RN: 67831-83-8
CAS Name: 2-(methylthio)-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
OPENEYE Name: 2-methylsulfanyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
IUPAC Name: 2-methylsulfanyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-methylsulfanyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C7H7N3OS
MOLECULAR WEIGHT: 181.21498
SMILES: CSC1=NC(=O)C2=C(N1)NC=C2
Structure:
CAS RN: 24386-95-6
CAS Name: 2-(4-amino-5-chloro-7-pyrrolo[2,3-d]pyrimidinyl)-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-(4-amino-5-chloro-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(4-amino-5-chloropyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(4-azanyl-5-chloranyl-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C11H13ClN4O4
MOLECULAR WEIGHT: 300.69832
SMILES: C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2N)Cl
Structure:
CAS RN: 26833-85-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H37NO9
MOLECULAR WEIGHT: 531.59468
SMILES: CC(C)(CC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O
Structure:
CAS RN: 28083-97-8
CAS Name: 1-(1-hydroxycycloheptyl)-1-cycloheptanol
OPENEYE Name: 1-(1-hydroxycycloheptyl)cycloheptanol
IUPAC Name: 1-(1-hydroxycycloheptyl)cycloheptan-1-ol
SYSTEMATIC NAME: 1-(1-oxidanylcycloheptyl)cycloheptan-1-ol
MOLECULAR FORMULA: C14H26O2
MOLECULAR WEIGHT: 226.35504
SMILES: C1CCCC(CC1)(C2(CCCCCC2)O)O
Structure:
CAS RN: 54397-80-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: C1C2C3C4C1C5C2C(C3C4C5O)O
Structure:
CAS RN: 58699-62-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C11H12O
MOLECULAR WEIGHT: 160.21238
SMILES: C1C2C3CC(=O)C2C4C1C3C=C4
Structure:
CAS RN: 59945-44-7
CAS Name: 1-(1,2,3,4-tetrachloro-7,7-dimethoxy-5-bicyclo[2.2.1]hept-2-enyl)ethanone
OPENEYE Name: 1-(1,2,3,4-tetrachloro-7,7-dimethoxy-5-bicyclo[2.2.1]hept-2-enyl)ethanone
IUPAC Name: 1-(1,2,3,4-tetrachloro-7,7-dimethoxy-5-bicyclo[2.2.1]hept-2-enyl)ethanone
SYSTEMATIC NAME: 1-[1,2,3,4-tetrakis(chloranyl)-7,7-dimethoxy-5-bicyclo[2.2.1]hept-2-enyl]ethanone
MOLECULAR FORMULA: C11H12Cl4O3
MOLECULAR WEIGHT: 334.02318
SMILES: CC(=O)C1CC2(C(=C(C1(C2(OC)OC)Cl)Cl)Cl)Cl
Structure:
CAS RN: 96385-50-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H16O2
MOLECULAR WEIGHT: 168.23284
SMILES: C1CC(C2C1C3C2CCC3O)O
Structure:
CAS RN: 32846-66-5
CAS Name: cubane-1,4-dicarboxylic acid
OPENEYE Name: cubane-1,4-dicarboxylic acid
IUPAC Name: cubane-1,4-dicarboxylic acid
SYSTEMATIC NAME: cubane-1,4-dicarboxylic acid
MOLECULAR FORMULA: C10H8O4
MOLECULAR WEIGHT: 192.16812
SMILES: C12C3C4C1(C5C2C3(C45)C(=O)O)C(=O)O
Structure:
CAS RN: 14767-24-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H8O2
MOLECULAR WEIGHT: 160.16932
SMILES: C12C3C4C1C(=O)C5C2C3C(=O)C45
Structure:
CAS RN: 41413-37-0
CAS Name: 4-bicyclo[3.1.0]hexanol
OPENEYE Name: bicyclo[3.1.0]hexan-4-ol
IUPAC Name: bicyclo[3.1.0]hexan-4-ol
SYSTEMATIC NAME: bicyclo[3.1.0]hexan-4-ol
MOLECULAR FORMULA: C6H10O
MOLECULAR WEIGHT: 98.143
SMILES: C1CC(C2C1C2)O
Structure:
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