Saturday, July 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 6-(1-hydroxyethyl)-3-(2-hydroxyethylsulfanyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CAS Name: 6-(1-hydroxyethyl)-3-(2-hydroxyethylthio)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
IUPAC NAME: 6-(1-hydroxyethyl)-3-(2-hydroxyethylsulfanyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SYSTEMATIC NAME: 6-(1-hydroxyethyl)-3-(2-hydroxyethylsulfanyl)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
MOLECULAR FORMULA: C10H12NO5S2-
MOLECULAR WEIGHT: 290.33598
SMILES: CC(C1C2N(C1=O)C(=C(S2)SCCO)C(=O)[O-])O
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Product OPENEYE NAME: 6-(1-hydroxyethyl)-3-(2-hydroxyethylsulfanyl)-7-oxo-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylate
CAS Name: 6-(1-hydroxyethyl)-3-(2-hydroxyethylthio)-7-oxo-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylate
IUPAC NAME: 6-(1-hydroxyethyl)-3-(2-hydroxyethylsulfanyl)-7-oxo-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylate
SYSTEMATIC NAME: 6-(1-hydroxyethyl)-3-(2-hydroxyethylsulfanyl)-7-oxidanylidene-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylate
MOLECULAR FORMULA: C10H13NO5S2
MOLECULAR WEIGHT: 291.34392
SMILES: CC(C1C2[N+](C1=O)(C=C(S2)SCCO)C(=O)[O-])O
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Product OPENEYE NAME: 6-(1-hydroxyethyl)-3-(2-hydroxyethylsulfanyl)-7-oxo-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid
CAS Name: 6-(1-hydroxyethyl)-3-(2-hydroxyethylthio)-7-oxo-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid
IUPAC NAME: 6-(1-hydroxyethyl)-3-(2-hydroxyethylsulfanyl)-7-oxo-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid
SYSTEMATIC NAME: 6-(1-hydroxyethyl)-3-(2-hydroxyethylsulfanyl)-7-oxidanylidene-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-1-carboxylic acid
MOLECULAR FORMULA: C10H14NO5S2+
MOLECULAR WEIGHT: 292.35186
SMILES: CC(C1C2[N+](C1=O)(C=C(S2)SCCO)C(=O)O)O
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Product OPENEYE NAME: potassium 2-ethylhexanoic acid
CAS Name: potassium 2-ethylhexanoic acid
IUPAC NAME: potassium 2-ethylhexanoic acid
SYSTEMATIC NAME: potassium 2-ethylhexanoic acid
MOLECULAR FORMULA: C8H16KO2+
MOLECULAR WEIGHT: 183.30974
SMILES: CCCCC(CC)C(=O)O.[K+]
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Product OPENEYE NAME: 1-ethylsulfanylcarbothioylsulfanylazetidin-2-one
CAS Name: 1-[[(ethylthio)-sulfanylidenemethyl]thio]-2-azetidinone
IUPAC NAME: 1-ethylsulfanylcarbothioylsulfanylazetidin-2-one
SYSTEMATIC NAME: 1-ethylsulfanylcarbothioylsulfanylazetidin-2-one
MOLECULAR FORMULA: C6H9NOS3
MOLECULAR WEIGHT: 207.33676
SMILES: CCSC(=S)SN1CCC1=O
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Product OPENEYE NAME: 1-[2-(2-hydroxyethylsulfanylcarbothioylsulfanyl)-4-oxo-azetidin-3-yl]ethyl 1,2,2-trichloroethyl carbonate
CAS Name: carbonic acid 1-[2-[[(2-hydroxyethylthio)-sulfanylidenemethyl]thio]-4-oxo-3-azetidinyl]ethyl 1,2,2-trichloroethyl ester
IUPAC NAME: 1-[2-(2-hydroxyethylsulfanylcarbothioylsulfanyl)-4-oxoazetidin-3-yl]ethyl 1,2,2-trichloroethyl carbonate
SYSTEMATIC NAME: 1-[2-(2-hydroxyethylsulfanylcarbothioylsulfanyl)-4-oxidanylidene-azetidin-3-yl]ethyl 1,2,2-tris(chloranyl)ethyl carbonate
MOLECULAR FORMULA: C11H14Cl3NO5S3
MOLECULAR WEIGHT: 442.78656
SMILES: CC(C1C(NC1=O)SC(=S)SCCO)OC(=O)OC(C(Cl)Cl)Cl
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Product OPENEYE NAME: 6-ethyl-3-ethylsulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
CAS Name: 6-ethyl-3-(ethylthio)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
IUPAC NAME: 6-ethyl-3-ethylsulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
SYSTEMATIC NAME: 6-ethyl-3-ethylsulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
MOLECULAR FORMULA: C10H12NO3S2-
MOLECULAR WEIGHT: 258.33718
SMILES: CCC1C2N(C1=O)C(=C(S2)SCC)C(=O)[O-]
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Product OPENEYE NAME: 6-ethyl-3-ethylsulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CAS Name: 6-ethyl-3-(ethylthio)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
IUPAC NAME: 6-ethyl-3-ethylsulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
SYSTEMATIC NAME: 6-ethyl-3-ethylsulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C10H13NO3S2
MOLECULAR WEIGHT: 259.34512
SMILES: CCC1C2N(C1=O)C(=C(S2)SCC)C(=O)O
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Product OPENEYE NAME: hydron; propan-2-ol; chloride
CAS Name: hydron; 2-propanol; chloride
IUPAC NAME: hydron; propan-2-ol; chloride
SYSTEMATIC NAME: hydron; propan-2-ol; chloride
MOLECULAR FORMULA: C3H9ClO
MOLECULAR WEIGHT: 96.55596
SMILES: [H+].CC(C)O.[Cl-]
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Product OPENEYE NAME: 2-[1-(2,6-dichlorophenoxy)ethoxy]-4,5-dihydro-1H-imidazole hydrochloride
CAS Name: 2-[1-(2,6-dichlorophenoxy)ethoxy]-4,5-dihydro-1H-imidazole hydrochloride
IUPAC NAME: 2-[1-(2,6-dichlorophenoxy)ethoxy]-4,5-dihydro-1H-imidazole hydrochloride
SYSTEMATIC NAME: 2-[1-[2,6-bis(chloranyl)phenoxy]ethoxy]-4,5-dihydro-1H-imidazole hydrochloride
MOLECULAR FORMULA: C11H13Cl3N2O2
MOLECULAR WEIGHT: 311.59212
SMILES: CC(OC1=C(C=CC=C1Cl)Cl)OC2=NCCN2.Cl
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Product OPENEYE NAME: 2-[1-(2,6-dichlorophenoxy)ethoxy]-4,5-dihydro-1H-imidazole
CAS Name: 2-[1-(2,6-dichlorophenoxy)ethoxy]-4,5-dihydro-1H-imidazole
IUPAC NAME: 2-[1-(2,6-dichlorophenoxy)ethoxy]-4,5-dihydro-1H-imidazole
SYSTEMATIC NAME: 2-[1-[2,6-bis(chloranyl)phenoxy]ethoxy]-4,5-dihydro-1H-imidazole
MOLECULAR FORMULA: C11H12Cl2N2O2
MOLECULAR WEIGHT: 275.13118
SMILES: CC(OC1=C(C=CC=C1Cl)Cl)OC2=NCCN2
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Product OPENEYE NAME: 6'-[(3,4-dichlorophenyl)methyl]spiro[imidazolidine-5,8'-thieno[3,2-e]indole]-2,4,7'-trione
CAS Name: 6'-[(3,4-dichlorophenyl)methyl]spiro[imidazolidine-5,8'-thieno[3,2-e]indole]-2,4,7'-trione
IUPAC NAME: 6'-[(3,4-dichlorophenyl)methyl]spiro[imidazolidine-5,8'-thieno[3,2-e]indole]-2,4,7'-trione
SYSTEMATIC NAME: 6'-[(3,4-dichlorophenyl)methyl]spiro[imidazolidine-5,8'-thieno[3,2-e]indole]-2,4,7'-trione
MOLECULAR FORMULA: C19H11Cl2N3O3S
MOLECULAR WEIGHT: 432.27994
SMILES: C1=CC(=C(C=C1CN2C3=C(C4=C(C=C3)SC=C4)C5(C2=O)C(=O)NC(=O)N5)Cl)Cl
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Product OPENEYE NAME: 6H-thieno[3,2-e]indole-7,8-dione
CAS Name: 6H-thieno[3,2-e]indole-7,8-dione
IUPAC NAME: 6H-thieno[3,2-e]indole-7,8-dione
SYSTEMATIC NAME: 6H-thieno[3,2-e]indole-7,8-dione
MOLECULAR FORMULA: C10H5NO2S
MOLECULAR WEIGHT: 203.2172
SMILES: C1=CC2=C(C=CS2)C3=C1NC(=O)C3=O
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Product OPENEYE NAME: 6-[(3,4-dichlorophenyl)methyl]thieno[3,2-e]indole-7,8-dione
CAS Name: 6-[(3,4-dichlorophenyl)methyl]thieno[3,2-e]indole-7,8-dione
IUPAC NAME: 6-[(3,4-dichlorophenyl)methyl]thieno[3,2-e]indole-7,8-dione
SYSTEMATIC NAME: 6-[(3,4-dichlorophenyl)methyl]thieno[3,2-e]indole-7,8-dione
MOLECULAR FORMULA: C17H9Cl2NO2S
MOLECULAR WEIGHT: 362.22986
SMILES: C1=CC(=C(C=C1CN2C3=C(C4=C(C=C3)SC=C4)C(=O)C2=O)Cl)Cl
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Product OPENEYE NAME: [5-(2-ethylphenyl)-1H-imidazol-2-yl]methanol
CAS Name: [5-(2-ethylphenyl)-1H-imidazol-2-yl]methanol
IUPAC NAME: [5-(2-ethylphenyl)-1H-imidazol-2-yl]methanol
SYSTEMATIC NAME: [5-(2-ethylphenyl)-1H-imidazol-2-yl]methanol
MOLECULAR FORMULA: C12H14N2O
MOLECULAR WEIGHT: 202.25236
SMILES: CCC1=CC=CC=C1C2=CN=C(N2)CO
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Product OPENEYE NAME: (5-methyl-1H-imidazol-4-yl)-(o-tolyl)methanone
CAS Name: (5-methyl-1H-imidazol-4-yl)-(2-methylphenyl)methanone
IUPAC NAME: (5-methyl-1H-imidazol-4-yl)-(2-methylphenyl)methanone
SYSTEMATIC NAME: (5-methyl-1H-imidazol-4-yl)-(2-methylphenyl)methanone
MOLECULAR FORMULA: C12H12N2O
MOLECULAR WEIGHT: 200.23648
SMILES: CC1=CC=CC=C1C(=O)C2=C(NC=N2)C
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Product OPENEYE NAME: [5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]methanol
CAS Name: [5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]methanol
IUPAC NAME: [5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]methanol
SYSTEMATIC NAME: [5-(3,5-dimethylphenyl)-1H-imidazol-2-yl]methanol
MOLECULAR FORMULA: C12H14N2O
MOLECULAR WEIGHT: 202.25236
SMILES: CC1=CC(=CC(=C1)C2=CN=C(N2)CO)C
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Product OPENEYE NAME: (2-ethylphenyl)-(1H-imidazol-5-yl)methanone
CAS Name: (2-ethylphenyl)-(1H-imidazol-5-yl)methanone
IUPAC NAME: (2-ethylphenyl)-(1H-imidazol-5-yl)methanone
SYSTEMATIC NAME: (2-ethylphenyl)-(1H-imidazol-5-yl)methanone
MOLECULAR FORMULA: C12H12N2O
MOLECULAR WEIGHT: 200.23648
SMILES: CCC1=CC=CC=C1C(=O)C2=CN=CN2
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