Product OPENEYE NAME: 4-(dimethylamino)benzenethiol
CAS Name: 4-(dimethylamino)benzenethiol
IUPAC NAME: 4-(dimethylamino)benzenethiol
SYSTEMATIC NAME: 4-(dimethylamino)benzenethiol
MOLECULAR FORMULA: C8H11NS
MOLECULAR WEIGHT: 153.24464
SMILES: CN(C)C1=CC=C(C=C1)S
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Product OPENEYE NAME: 1-anilino-2-methyl-anthracene-9,10-dione
CAS Name: 1-anilino-2-methylanthracene-9,10-dione
IUPAC NAME: 1-anilino-2-methylanthracene-9,10-dione
SYSTEMATIC NAME: 2-methyl-1-phenylazanyl-anthracene-9,10-dione
MOLECULAR FORMULA: C21H15NO2
MOLECULAR WEIGHT: 313.3493
SMILES: CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)NC4=CC=CC=C4
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Product OPENEYE NAME: 1-[(1R,3S)-3-ethyl-2,2-dimethyl-cyclobutyl]ethanone
CAS Name: 1-[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]ethanone
IUPAC NAME: 1-[(1R,3S)-3-ethyl-2,2-dimethylcyclobutyl]ethanone
SYSTEMATIC NAME: 1-[(1R,3S)-3-ethyl-2,2-dimethyl-cyclobutyl]ethanone
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: CC[C@H]1C[C@H](C1(C)C)C(=O)C
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Product OPENEYE NAME: 2,6,10-trimethyldodeca-2,6,9,11-tetraenal
CAS Name: 2,6,10-trimethyldodeca-2,6,9,11-tetraenal
IUPAC NAME: 2,6,10-trimethyldodeca-2,6,9,11-tetraenal
SYSTEMATIC NAME: 2,6,10-trimethyldodeca-2,6,9,11-tetraenal
MOLECULAR FORMULA: C15H22O
MOLECULAR WEIGHT: 218.33458
SMILES: CC(=CCC=C(C)C=C)CCC=C(C)C=O
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Product OPENEYE NAME: ethyl 1-methyl-1-oxido-4-phenyl-piperidin-1-ium-4-carboxylate chloride
CAS Name: 1-methyl-1-oxido-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester chloride
IUPAC NAME: ethyl 1-methyl-1-oxido-4-phenylpiperidin-1-ium-4-carboxylate chloride
SYSTEMATIC NAME: ethyl 1-methyl-1-oxidanidyl-4-phenyl-piperidin-1-ium-4-carboxylate chloride
MOLECULAR FORMULA: C15H21ClNO3-
MOLECULAR WEIGHT: 298.78514
SMILES: CCOC(=O)C1(CC[N+](CC1)(C)[O-])C2=CC=CC=C2.[Cl-]
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Product OPENEYE NAME: ethyl 1-methyl-1-oxido-4-phenyl-piperidin-1-ium-4-carboxylate
CAS Name: 1-methyl-1-oxido-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-methyl-1-oxido-4-phenylpiperidin-1-ium-4-carboxylate
SYSTEMATIC NAME: ethyl 1-methyl-1-oxidanidyl-4-phenyl-piperidin-1-ium-4-carboxylate
MOLECULAR FORMULA: C15H21NO3
MOLECULAR WEIGHT: 263.33214
SMILES: CCOC(=O)C1(CC[N+](CC1)(C)[O-])C2=CC=CC=C2
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Product OPENEYE NAME: [(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-bromoacetate
CAS Name: 2-bromoacetic acid [(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: [(3S,5S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-bromoacetate
SYSTEMATIC NAME: [(3S,5S,10S,13R,14S,17R)-10-methanoyl-13-methyl-5,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-bromanylethanoate
MOLECULAR FORMULA: C25H33BrO7
MOLECULAR WEIGHT: 525.42932
SMILES: C[C@]12CCC3C([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)OC(=O)CBr)C=O)O
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Product OPENEYE NAME: 8-chloro-6-(4-methylpiperazin-1-ium-1-yl)benzo[b][1,4]benzothiazepine chloride
CAS Name: 8-chloro-6-(4-methyl-1-piperazin-1-iumyl)benzo[b][1,4]benzothiazepine chloride
IUPAC NAME: 8-chloro-6-(4-methylpiperazin-1-ium-1-yl)benzo[b][1,4]benzothiazepine chloride
SYSTEMATIC NAME: 8-chloranyl-6-(4-methylpiperazin-1-ium-1-yl)benzo[b][1,4]benzothiazepine chloride
MOLECULAR FORMULA: C18H19Cl2N3S
MOLECULAR WEIGHT: 380.33456
SMILES: CN1CC[NH+](CC1)C2=NC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.[Cl-]
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Product OPENEYE NAME: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] heptanoate
CAS Name: heptanoic acid [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] heptanoate
SYSTEMATIC NAME: [(8R,9S,13S,14S,17S)-13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] heptanoate
MOLECULAR FORMULA: C25H36O3
MOLECULAR WEIGHT: 384.55154
SMILES: CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C
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Product OPENEYE NAME: 1-methyl-4-(p-tolylmethyl)benzene
CAS Name: 1-methyl-4-[(4-methylphenyl)methyl]benzene
IUPAC NAME: 1-methyl-4-[(4-methylphenyl)methyl]benzene
SYSTEMATIC NAME: 1-methyl-4-[(4-methylphenyl)methyl]benzene
MOLECULAR FORMULA: C15H16
MOLECULAR WEIGHT: 196.28754
SMILES: CC1=CC=C(C=C1)CC2=CC=C(C=C2)C
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Product OPENEYE NAME: 1,2,4-trimethyl-5-[(2,4,5-trimethylphenyl)methyl]benzene
CAS Name: 1,2,4-trimethyl-5-[(2,4,5-trimethylphenyl)methyl]benzene
IUPAC NAME: 1,2,4-trimethyl-5-[(2,4,5-trimethylphenyl)methyl]benzene
SYSTEMATIC NAME: 1,2,4-trimethyl-5-[(2,4,5-trimethylphenyl)methyl]benzene
MOLECULAR FORMULA: C19H24
MOLECULAR WEIGHT: 252.39386
SMILES: CC1=CC(=C(C=C1C)CC2=C(C=C(C(=C2)C)C)C)C
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Product OPENEYE NAME: 2,4-dichloro-1-[[methyl(sulfamoyl)amino]methyl]benzene
CAS Name: 2,4-dichloro-1-[[methyl(sulfamoyl)amino]methyl]benzene
IUPAC NAME: 2,4-dichloro-1-[[methyl(sulfamoyl)amino]methyl]benzene
SYSTEMATIC NAME: 2,4-bis(chloranyl)-1-[[methyl(sulfamoyl)amino]methyl]benzene
MOLECULAR FORMULA: C8H10Cl2N2O2S
MOLECULAR WEIGHT: 269.1482
SMILES: CN(CC1=C(C=C(C=C1)Cl)Cl)S(=O)(=O)N
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Product OPENEYE NAME: diethylarsinic acid
CAS Name: diethylarsinic acid
IUPAC NAME: diethylarsinic acid
SYSTEMATIC NAME: diethylarsinic acid
MOLECULAR FORMULA: C4H11AsO2
MOLECULAR WEIGHT: 166.05054
SMILES: CC[As](=O)(CC)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H34O4
MOLECULAR WEIGHT: 386.52436
SMILES: CC(=O)C12C(CC3C1(CCC4C3CCC5=CC(=O)CCC45C)C)OC(O2)(C)C
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Product OPENEYE NAME: 2-hydroxy-2H-furan-5-one
CAS Name: 2-hydroxy-2H-furan-5-one
IUPAC NAME: 2-hydroxy-2H-furan-5-one
SYSTEMATIC NAME: 2-oxidanyl-2H-furan-5-one
MOLECULAR FORMULA: C4H4O3
MOLECULAR WEIGHT: 100.07276
SMILES: C1=CC(=O)OC1O
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Product OPENEYE NAME: N-(benzylideneamino)-2-cyano-acetamide
CAS Name: 2-cyano-N-[(phenylmethylene)amino]acetamide
IUPAC NAME: N-(benzylideneamino)-2-cyanoacetamide
SYSTEMATIC NAME: 2-cyano-N-[(phenylmethylidene)amino]ethanamide
MOLECULAR FORMULA: C10H9N3O
MOLECULAR WEIGHT: 187.19796
SMILES: C1=CC=C(C=C1)C=NNC(=O)CC#N
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Product OPENEYE NAME: 2-oxo-2-(4-phenylphenyl)acetaldehyde
CAS Name: 2-oxo-2-(4-phenylphenyl)acetaldehyde
IUPAC NAME: 2-oxo-2-(4-phenylphenyl)acetaldehyde
SYSTEMATIC NAME: 2-oxidanylidene-2-(4-phenylphenyl)ethanal
MOLECULAR FORMULA: C14H10O2
MOLECULAR WEIGHT: 210.228
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C=O
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Product OPENEYE NAME: N,N'-dicyclohexylmorpholine-4-carboxamidine
CAS Name: N,N'-dicyclohexyl-4-morpholinecarboximidamide
IUPAC NAME: N,N'-dicyclohexylmorpholine-4-carboximidamide
SYSTEMATIC NAME: N,N'-dicyclohexylmorpholine-4-carboximidamide
MOLECULAR FORMULA: C17H31N3O
MOLECULAR WEIGHT: 293.44754
SMILES: C1CCC(CC1)NC(=NC2CCCCC2)N3CCOCC3
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Product OPENEYE NAME: N-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclohexyl-cyclohexanamine
CAS Name: N,N-dicyclohexyl-1,3-benzothiazole-2-sulfenamide
IUPAC NAME: N-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclohexylcyclohexanamine
SYSTEMATIC NAME: N-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclohexyl-cyclohexanamine
MOLECULAR FORMULA: C19H26N2S2
MOLECULAR WEIGHT: 346.55314
SMILES: C1CCC(CC1)N(C2CCCCC2)SC3=NC4=CC=CC=C4S3
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Product OPENEYE NAME: 3-(2-carboxyethylsulfanyl)propanoic acid; dibutyltin
CAS Name: 3-(2-carboxyethylthio)propanoic acid; dibutyltin
IUPAC NAME: 3-(2-carboxyethylsulfanyl)propanoic acid; dibutyltin
SYSTEMATIC NAME: dibutyltin; 3-(3-hydroxy-3-oxopropylsulfanyl)propanoic acid
MOLECULAR FORMULA: C14H28O4SSn
MOLECULAR WEIGHT: 411.14472
SMILES: CCCC[Sn]CCCC.C(CSCCC(=O)O)C(=O)O
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