Wednesday, July 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 4-allyl-3-(2-prop-2-enoyloxypropoxycarbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CAS Name: 3-[oxo-[2-(1-oxoprop-2-enoxy)propoxy]methyl]-4-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enecarboxylic acid
IUPAC NAME: 3-(2-prop-2-enoyloxypropoxycarbonyl)-4-prop-2-enylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-(2-prop-2-enoyloxypropoxycarbonyl)-4-prop-2-enyl-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
MOLECULAR FORMULA: C18H22O6
MOLECULAR WEIGHT: 334.36368
SMILES: CC(COC(=O)C1C(C2CC1(C=C2)CC=C)C(=O)O)OC(=O)C=C
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Product OPENEYE NAME: 3-(3,4-dimethyl-2,5-dioxo-pyrrol-1-yl)propyl prop-2-enoate
CAS Name: 2-propenoic acid 3-(3,4-dimethyl-2,5-dioxo-1-pyrrolyl)propyl ester
IUPAC NAME: 3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)propyl prop-2-enoate
SYSTEMATIC NAME: 3-[3,4-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-yl]propyl prop-2-enoate
MOLECULAR FORMULA: C12H15NO4
MOLECULAR WEIGHT: 237.2518
SMILES: CC1=C(C(=O)N(C1=O)CCCOC(=O)C=C)C
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Product OPENEYE NAME: 3-(2-prop-2-enoyloxyethoxycarbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CAS Name: 3-[oxo-[2-(1-oxoprop-2-enoxy)ethoxy]methyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
IUPAC NAME: 3-(2-prop-2-enoyloxyethoxycarbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-(2-prop-2-enoyloxyethoxycarbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
MOLECULAR FORMULA: C13H14O7
MOLECULAR WEIGHT: 282.24606
SMILES: C=CC(=O)OCCOC(=O)C1C2C=CC(C1C(=O)O)O2
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Product OPENEYE NAME: [3-(3,4-dimethyl-2,5-dioxo-pyrrol-1-yl)-2-hydroxy-propyl] prop-2-enoate
CAS Name: 2-propenoic acid [3-(3,4-dimethyl-2,5-dioxo-1-pyrrolyl)-2-hydroxypropyl] ester
IUPAC NAME: [3-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-2-hydroxypropyl] prop-2-enoate
SYSTEMATIC NAME: [3-[3,4-dimethyl-2,5-bis(oxidanylidene)pyrrol-1-yl]-2-oxidanyl-propyl] prop-2-enoate
MOLECULAR FORMULA: C12H15NO5
MOLECULAR WEIGHT: 253.2512
SMILES: CC1=C(C(=O)N(C1=O)CC(COC(=O)C=C)O)C
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Product OPENEYE NAME: 3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CAS Name: 3-[2-(2-methyl-1-oxoprop-2-enoxy)ethoxy-oxomethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
IUPAC NAME: 3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SYSTEMATIC NAME: 3-[2-(2-methylprop-2-enoyloxy)ethoxycarbonyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
MOLECULAR FORMULA: C14H16O7
MOLECULAR WEIGHT: 296.27264
SMILES: CC(=C)C(=O)OCCOC(=O)C1C2C=CC(C1C(=O)O)O2
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Product OPENEYE NAME: 2-[3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzenesulfonic acid
CAS Name: 2-[3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzenesulfonic acid
IUPAC NAME: 2-[3-oxo-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzenesulfonic acid
SYSTEMATIC NAME: 2-[3-oxidanylidene-5-(trifluoromethyl)-1H-pyrazol-2-yl]benzenesulfonic acid
MOLECULAR FORMULA: C10H7F3N2O4S
MOLECULAR WEIGHT: 308.23379
SMILES: C1=CC=C(C(=C1)N2C(=O)C=C(N2)C(F)(F)F)S(=O)(=O)O
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Product OPENEYE NAME: 5-(trifluoromethyl)pyrazol-3-one
CAS Name: 5-(trifluoromethyl)-3-pyrazolone
IUPAC NAME: 5-(trifluoromethyl)pyrazol-3-one
SYSTEMATIC NAME: 5-(trifluoromethyl)pyrazol-3-one
MOLECULAR FORMULA: C4HF3N2O
MOLECULAR WEIGHT: 150.05875
SMILES: C1=C(N=NC1=O)C(F)(F)F
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Product OPENEYE NAME: N-[[3-[(prop-2-enoylamino)methyl]imidazolidin-1-yl]methyl]prop-2-enamide
CAS Name: N-[[3-[(1-oxoprop-2-enylamino)methyl]-1-imidazolidinyl]methyl]-2-propenamide
IUPAC NAME: N-[[3-[(prop-2-enoylamino)methyl]imidazolidin-1-yl]methyl]prop-2-enamide
SYSTEMATIC NAME: N-[[3-[(prop-2-enoylamino)methyl]imidazolidin-1-yl]methyl]prop-2-enamide
MOLECULAR FORMULA: C11H18N4O2
MOLECULAR WEIGHT: 238.28622
SMILES: C=CC(=O)NCN1CCN(C1)CNC(=O)C=C
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Product OPENEYE NAME: dialuminum; dioxido(oxo)silane; phosphoric acid
CAS Name: dialuminum; dioxido(oxo)silane; phosphoric acid
IUPAC NAME: dialuminum; dioxido(oxo)silane; phosphoric acid
SYSTEMATIC NAME: dialuminum; bis(oxidanidyl)-oxidanylidene-silane; phosphoric acid
MOLECULAR FORMULA: Al2H6O17P2Si3
MOLECULAR WEIGHT: 478.204538
SMILES: OP(=O)(O)O.OP(=O)(O)O.[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[Al+3].[Al+3]
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Product OPENEYE NAME: magnesium butyl-dimethyl-oxido-silane
CAS Name: magnesium butyl-dimethyl-oxidosilane
IUPAC NAME: magnesium butyl-dimethyl-oxidosilane
SYSTEMATIC NAME: magnesium butyl-dimethyl-oxidanidyl-silane
MOLECULAR FORMULA: C12H30MgO2Si2
MOLECULAR WEIGHT: 286.8414
SMILES: CCCC[Si](C)(C)[O-].CCCC[Si](C)(C)[O-].[Mg+2]
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Product OPENEYE NAME: magnesium butyl-methyl-oxido-phenyl-silane
CAS Name: magnesium butyl-methyl-oxido-phenylsilane
IUPAC NAME: magnesium butyl-methyl-oxido-phenylsilane
SYSTEMATIC NAME: magnesium butyl-methyl-oxidanidyl-phenyl-silane
MOLECULAR FORMULA: C22H34MgO2Si2
MOLECULAR WEIGHT: 410.98016
SMILES: CCCC[Si](C)(C1=CC=CC=C1)[O-].CCCC[Si](C)(C1=CC=CC=C1)[O-].[Mg+2]
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Product OPENEYE NAME: butyl-hydroxy-methyl-phenyl-silane
CAS Name: butyl-hydroxy-methyl-phenylsilane
IUPAC NAME: butyl-hydroxy-methyl-phenylsilane
SYSTEMATIC NAME: butyl-methyl-oxidanyl-phenyl-silane
MOLECULAR FORMULA: C11H18OSi
MOLECULAR WEIGHT: 194.34552
SMILES: CCCC[Si](C)(C1=CC=CC=C1)O
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