Product OPENEYE NAME: 5-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexane hydrochloride
CAS Name: 5-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexane hydrochloride
IUPAC NAME: 5-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexane hydrochloride
SYSTEMATIC NAME: 5-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]-3-azabicyclo[3.1.0]hexane hydrochloride
MOLECULAR FORMULA: C18H18Cl2FN
MOLECULAR WEIGHT: 338.246623
SMILES: C1C2C1(CN(C2)CC3=CC(=CC=C3)F)C4=CC=C(C=C4)Cl.Cl
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Product OPENEYE NAME: 1-(1,3-benzodioxol-5-yl)cyclopropane-1,2-dicarboxylic acid
CAS Name: 1-(1,3-benzodioxol-5-yl)cyclopropane-1,2-dicarboxylic acid
IUPAC NAME: 1-(1,3-benzodioxol-5-yl)cyclopropane-1,2-dicarboxylic acid
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)cyclopropane-1,2-dicarboxylic acid
MOLECULAR FORMULA: C12H10O6
MOLECULAR WEIGHT: 250.2042
SMILES: C1C(C1(C2=CC3=C(C=C2)OCO3)C(=O)O)C(=O)O
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Product OPENEYE NAME: 4-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-5-yl)benzaldehyde
CAS Name: 4-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-5-yl)benzaldehyde
IUPAC NAME: 4-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-5-yl)benzaldehyde
SYSTEMATIC NAME: 4-[2,4-bis(oxidanylidene)-3-azabicyclo[3.1.0]hexan-5-yl]benzaldehyde
MOLECULAR FORMULA: C12H9NO3
MOLECULAR WEIGHT: 215.20476
SMILES: C1C2C1(C(=O)NC2=O)C3=CC=C(C=C3)C=O
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Product OPENEYE NAME: 1-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxylic acid
CAS Name: 1-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxylic acid
IUPAC NAME: 1-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxylic acid
SYSTEMATIC NAME: 1-(3,4-dimethylphenyl)cyclopropane-1,2-dicarboxylic acid
MOLECULAR FORMULA: C13H14O4
MOLECULAR WEIGHT: 234.24786
SMILES: CC1=C(C=C(C=C1)C2(CC2C(=O)O)C(=O)O)C
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Product OPENEYE NAME: sodium; ethane; prop-2-enoate
CAS Name: sodium; ethane; 2-propenoate
IUPAC NAME: sodium; ethane; prop-2-enoate
SYSTEMATIC NAME: sodium; ethane; prop-2-enoate
MOLECULAR FORMULA: C5H8NaO2-
MOLECULAR WEIGHT: 123.10559
SMILES: C[CH2-].C=CC(=O)[O-].[Na+]
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Product OPENEYE NAME: 2-[5-(4-chlorophenyl)-3-azabicyclo[3.1.0]hexan-3-yl]-N-phenyl-propanamide hydrochloride
CAS Name: 2-[5-(4-chlorophenyl)-3-azabicyclo[3.1.0]hexan-3-yl]-N-phenylpropanamide hydrochloride
IUPAC NAME: 2-[5-(4-chlorophenyl)-3-azabicyclo[3.1.0]hexan-3-yl]-N-phenylpropanamide hydrochloride
SYSTEMATIC NAME: 2-[5-(4-chlorophenyl)-3-azabicyclo[3.1.0]hexan-3-yl]-N-phenyl-propanamide hydrochloride
MOLECULAR FORMULA: C20H22Cl2N2O
MOLECULAR WEIGHT: 377.30748
SMILES: CC(C(=O)NC1=CC=CC=C1)N2CC3CC3(C2)C4=CC=C(C=C4)Cl.Cl
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Product OPENEYE NAME: N-(4-octylphenyl)-1,3-dithiolan-2-imine; sulfuric acid
CAS Name: N-(4-octylphenyl)-1,3-dithiolan-2-imine; sulfuric acid
IUPAC NAME: N-(4-octylphenyl)-1,3-dithiolan-2-imine; sulfuric acid
SYSTEMATIC NAME: N-(4-octylphenyl)-1,3-dithiolan-2-imine; sulfuric acid
MOLECULAR FORMULA: C17H27NO4S3
MOLECULAR WEIGHT: 405.59558
SMILES: CCCCCCCCC1=CC=C(C=C1)N=C2SCCS2.OS(=O)(=O)O
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Product OPENEYE NAME: N-(4-isopropylphenyl)-1,3-dithiolan-2-imine; sulfuric acid
CAS Name: N-(4-propan-2-ylphenyl)-1,3-dithiolan-2-imine; sulfuric acid
IUPAC NAME: N-(4-propan-2-ylphenyl)-1,3-dithiolan-2-imine; sulfuric acid
SYSTEMATIC NAME: N-(4-propan-2-ylphenyl)-1,3-dithiolan-2-imine; sulfuric acid
MOLECULAR FORMULA: C12H17NO4S3
MOLECULAR WEIGHT: 335.46268
SMILES: CC(C)C1=CC=C(C=C1)N=C2SCCS2.OS(=O)(=O)O
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Product OPENEYE NAME: N-(4-decylphenyl)-1,3-dithiolan-2-imine
CAS Name: N-(4-decylphenyl)-1,3-dithiolan-2-imine
IUPAC NAME: N-(4-decylphenyl)-1,3-dithiolan-2-imine
SYSTEMATIC NAME: N-(4-decylphenyl)-1,3-dithiolan-2-imine
MOLECULAR FORMULA: C19H29NS2
MOLECULAR WEIGHT: 335.57026
SMILES: CCCCCCCCCCC1=CC=C(C=C1)N=C2SCCS2
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Product OPENEYE NAME: N-(4-hexylphenyl)-1,3-dithiolan-2-imine; sulfuric acid
CAS Name: N-(4-hexylphenyl)-1,3-dithiolan-2-imine; sulfuric acid
IUPAC NAME: N-(4-hexylphenyl)-1,3-dithiolan-2-imine; sulfuric acid
SYSTEMATIC NAME: N-(4-hexylphenyl)-1,3-dithiolan-2-imine; sulfuric acid
MOLECULAR FORMULA: C15H23NO4S3
MOLECULAR WEIGHT: 377.54242
SMILES: CCCCCCC1=CC=C(C=C1)N=C2SCCS2.OS(=O)(=O)O
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Product OPENEYE NAME: N-(4-isobutylphenyl)-1,3-dithiolan-2-imine
CAS Name: N-[4-(2-methylpropyl)phenyl]-1,3-dithiolan-2-imine
IUPAC NAME: N-[4-(2-methylpropyl)phenyl]-1,3-dithiolan-2-imine
SYSTEMATIC NAME: N-[4-(2-methylpropyl)phenyl]-1,3-dithiolan-2-imine
MOLECULAR FORMULA: C13H17NS2
MOLECULAR WEIGHT: 251.41078
SMILES: CC(C)CC1=CC=C(C=C1)N=C2SCCS2
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Product OPENEYE NAME: 2-hexylaniline; sulfuric acid
CAS Name: 2-hexylaniline; sulfuric acid
IUPAC NAME: 2-hexylaniline; sulfuric acid
SYSTEMATIC NAME: 2-hexylaniline; sulfuric acid
MOLECULAR FORMULA: C12H21NO4S
MOLECULAR WEIGHT: 275.36444
SMILES: CCCCCCC1=CC=CC=C1N.OS(=O)(=O)O
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Product OPENEYE NAME: N-[4-(2-methylhexyl)phenyl]-1,3-dithiolan-2-imine
CAS Name: N-[4-(2-methylhexyl)phenyl]-1,3-dithiolan-2-imine
IUPAC NAME: N-[4-(2-methylhexyl)phenyl]-1,3-dithiolan-2-imine
SYSTEMATIC NAME: N-[4-(2-methylhexyl)phenyl]-1,3-dithiolan-2-imine
MOLECULAR FORMULA: C16H23NS2
MOLECULAR WEIGHT: 293.49052
SMILES: CCCCC(C)CC1=CC=C(C=C1)N=C2SCCS2
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Product OPENEYE NAME: N-(p-tolyl)-1,3-dithiolan-2-imine; sulfuric acid
CAS Name: N-(4-methylphenyl)-1,3-dithiolan-2-imine; sulfuric acid
IUPAC NAME: N-(4-methylphenyl)-1,3-dithiolan-2-imine; sulfuric acid
SYSTEMATIC NAME: N-(4-methylphenyl)-1,3-dithiolan-2-imine; sulfuric acid
MOLECULAR FORMULA: C10H13NO4S3
MOLECULAR WEIGHT: 307.40952
SMILES: CC1=CC=C(C=C1)N=C2SCCS2.OS(=O)(=O)O
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Product OPENEYE NAME: N-(4-cycloheptylphenyl)-1,3-dithiolan-2-imine
CAS Name: N-(4-cycloheptylphenyl)-1,3-dithiolan-2-imine
IUPAC NAME: N-(4-cycloheptylphenyl)-1,3-dithiolan-2-imine
SYSTEMATIC NAME: N-(4-cycloheptylphenyl)-1,3-dithiolan-2-imine
MOLECULAR FORMULA: C16H21NS2
MOLECULAR WEIGHT: 291.47464
SMILES: C1CCCC(CC1)C2=CC=C(C=C2)N=C3SCCS3
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Product OPENEYE NAME: N-(4-cyclopentylphenyl)-1,3-dithiolan-2-imine
CAS Name: N-(4-cyclopentylphenyl)-1,3-dithiolan-2-imine
IUPAC NAME: N-(4-cyclopentylphenyl)-1,3-dithiolan-2-imine
SYSTEMATIC NAME: N-(4-cyclopentylphenyl)-1,3-dithiolan-2-imine
MOLECULAR FORMULA: C14H17NS2
MOLECULAR WEIGHT: 263.42148
SMILES: C1CCC(C1)C2=CC=C(C=C2)N=C3SCCS3
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Product OPENEYE NAME: N-(4-sec-butylphenyl)-1,3-dithiolan-2-imine
CAS Name: N-(4-butan-2-ylphenyl)-1,3-dithiolan-2-imine
IUPAC NAME: N-(4-butan-2-ylphenyl)-1,3-dithiolan-2-imine
SYSTEMATIC NAME: N-(4-butan-2-ylphenyl)-1,3-dithiolan-2-imine
MOLECULAR FORMULA: C13H17NS2
MOLECULAR WEIGHT: 251.41078
SMILES: CCC(C)C1=CC=C(C=C1)N=C2SCCS2
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Product OPENEYE NAME: N-(4-propylphenyl)-1,3-dithiolan-2-imine; sulfuric acid
CAS Name: N-(4-propylphenyl)-1,3-dithiolan-2-imine; sulfuric acid
IUPAC NAME: N-(4-propylphenyl)-1,3-dithiolan-2-imine; sulfuric acid
SYSTEMATIC NAME: N-(4-propylphenyl)-1,3-dithiolan-2-imine; sulfuric acid
MOLECULAR FORMULA: C12H17NO4S3
MOLECULAR WEIGHT: 335.46268
SMILES: CCCC1=CC=C(C=C1)N=C2SCCS2.OS(=O)(=O)O
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Product OPENEYE NAME: N-(4-ethylphenyl)-1,3-dithiolan-2-imine; sulfuric acid
CAS Name: N-(4-ethylphenyl)-1,3-dithiolan-2-imine; sulfuric acid
IUPAC NAME: N-(4-ethylphenyl)-1,3-dithiolan-2-imine; sulfuric acid
SYSTEMATIC NAME: N-(4-ethylphenyl)-1,3-dithiolan-2-imine; sulfuric acid
MOLECULAR FORMULA: C11H15NO4S3
MOLECULAR WEIGHT: 321.4361
SMILES: CCC1=CC=C(C=C1)N=C2SCCS2.OS(=O)(=O)O
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Product OPENEYE NAME: [6,7-dichloro-2-(hydroxymethyl)-2,3-dihydrobenzofuran-5-yl]-(2-hydroxyphenyl)methanone; 5-oxa-3-azabicyclo[5.3.1]undeca-1(11),7,9-trien-4-one
CAS Name: [6,7-dichloro-2-(hydroxymethyl)-2,3-dihydrobenzofuran-5-yl]-(2-hydroxyphenyl)methanone; 5-oxa-3-azabicyclo[5.3.1]undeca-1(11),7,9-trien-4-one
IUPAC NAME: [6,7-dichloro-2-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]-(2-hydroxyphenyl)methanone; 5-oxa-3-azabicyclo[5.3.1]undeca-1(11),7,9-trien-4-one
SYSTEMATIC NAME: [6,7-bis(chloranyl)-2-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]-(2-hydroxyphenyl)methanone; 5-oxa-3-azabicyclo[5.3.1]undeca-1(11),7,9-trien-4-one
MOLECULAR FORMULA: C25H21Cl2NO6
MOLECULAR WEIGHT: 502.34334
SMILES: C1C(OC2=C1C=C(C(=C2Cl)Cl)C(=O)C3=CC=CC=C3O)CO.C1C2=CC(=CC=C2)COC(=O)N1
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Product OPENEYE NAME: 5-oxa-3-azabicyclo[5.3.1]undeca-1(11),7,9-trien-4-one
CAS Name: 5-oxa-3-azabicyclo[5.3.1]undeca-1(11),7,9-trien-4-one
IUPAC NAME: 5-oxa-3-azabicyclo[5.3.1]undeca-1(11),7,9-trien-4-one
SYSTEMATIC NAME: 5-oxa-3-azabicyclo[5.3.1]undeca-1(11),7,9-trien-4-one
MOLECULAR FORMULA: C9H9NO2
MOLECULAR WEIGHT: 163.17326
SMILES: C1C2=CC(=CC=C2)COC(=O)N1
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Product OPENEYE NAME: [6,7-dichloro-2-(hydroxymethyl)-2,3-dihydrobenzofuran-5-yl]-(2-hydroxyphenyl)methanone
CAS Name: [6,7-dichloro-2-(hydroxymethyl)-2,3-dihydrobenzofuran-5-yl]-(2-hydroxyphenyl)methanone
IUPAC NAME: [6,7-dichloro-2-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]-(2-hydroxyphenyl)methanone
SYSTEMATIC NAME: [6,7-bis(chloranyl)-2-(hydroxymethyl)-2,3-dihydro-1-benzofuran-5-yl]-(2-hydroxyphenyl)methanone
MOLECULAR FORMULA: C16H12Cl2O4
MOLECULAR WEIGHT: 339.17008
SMILES: C1C(OC2=C1C=C(C(=C2Cl)Cl)C(=O)C3=CC=CC=C3O)CO
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