Sunday, July 31, 2011

All Chemical Compounds Information




Product OPENEYE NAME: [2,5-dioxo-4-(2-phenylacetyl)oxy-3-furyl] 2-phenylacetate
CAS Name: 2-phenylacetic acid [2,5-dioxo-4-(1-oxo-2-phenylethoxy)-3-furanyl] ester
IUPAC NAME: [2,5-dioxo-4-(2-phenylacetyl)oxyfuran-3-yl] 2-phenylacetate
SYSTEMATIC NAME: [2,5-bis(oxidanylidene)-4-(2-phenylethanoyloxy)furan-3-yl] 2-phenylethanoate
MOLECULAR FORMULA: C20H14O7
MOLECULAR WEIGHT: 366.32096
SMILES: C1=CC=C(C=C1)CC(=O)OC2=C(C(=O)OC2=O)OC(=O)CC3=CC=CC=C3
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Product OPENEYE NAME: (4-butanoyloxy-2,5-dioxo-3-furyl) butanoate
CAS Name: butanoic acid [2,5-dioxo-4-(1-oxobutoxy)-3-furanyl] ester
IUPAC NAME: (4-butanoyloxy-2,5-dioxofuran-3-yl) butanoate
SYSTEMATIC NAME: [4-butanoyloxy-2,5-bis(oxidanylidene)furan-3-yl] butanoate
MOLECULAR FORMULA: C12H14O7
MOLECULAR WEIGHT: 270.23536
SMILES: CCCC(=O)OC1=C(C(=O)OC1=O)OC(=O)CCC
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Product OPENEYE NAME: naphthalene-1,3-diol
CAS Name: naphthalene-1,3-diol
IUPAC NAME: naphthalene-1,3-diol
SYSTEMATIC NAME: naphthalene-1,3-diol
MOLECULAR FORMULA: C10H8O2
MOLECULAR WEIGHT: 160.16932
SMILES: C1=CC=C2C(=C1)C=C(C=C2O)O
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Product OPENEYE NAME: 2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one
CAS Name: 2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one
IUPAC NAME: 2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one
SYSTEMATIC NAME: 2-(2-chloroethyl)-2,3-dihydro-1,3-benzoxazin-4-one
MOLECULAR FORMULA: C10H10ClNO2
MOLECULAR WEIGHT: 211.6449
SMILES: C1=CC=C2C(=C1)C(=O)NC(O2)CCCl
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Product OPENEYE NAME: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-phenoxypropanoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-1-oxo-2-phenoxypropyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC NAME: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-phenoxypropanoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6R)-3,3-dimethyl-7-oxidanylidene-6-[[(2R)-2-phenoxypropanoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C17H20N2O5S
MOLECULAR WEIGHT: 364.4161
SMILES: C[C@H](C(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)OC3=CC=CC=C3
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Product OPENEYE NAME: 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CAS Name: 2-(trichloromethylthio)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
IUPAC NAME: 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
SYSTEMATIC NAME: 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
MOLECULAR FORMULA: C9H8Cl3NO2S
MOLECULAR WEIGHT: 300.58932
SMILES: C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl
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Product OPENEYE NAME: 2-(trichloromethylsulfanyl)isoindoline-1,3-dione
CAS Name: 2-(trichloromethylthio)isoindole-1,3-dione
IUPAC NAME: 2-(trichloromethylsulfanyl)isoindole-1,3-dione
SYSTEMATIC NAME: 2-(trichloromethylsulfanyl)isoindole-1,3-dione
MOLECULAR FORMULA: C9H4Cl3NO2S
MOLECULAR WEIGHT: 296.55756
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl
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Product OPENEYE NAME: phenyl 4-amino-2-hydroxy-benzoate
CAS Name: 4-amino-2-hydroxybenzoic acid phenyl ester
IUPAC NAME: phenyl 4-amino-2-hydroxybenzoate
SYSTEMATIC NAME: phenyl 4-azanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C13H11NO3
MOLECULAR WEIGHT: 229.23134
SMILES: C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)N)O
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Product OPENEYE NAME: diethyl 2-ethylpropanedioate
CAS Name: 2-ethylpropanedioic acid diethyl ester
IUPAC NAME: diethyl 2-ethylpropanedioate
SYSTEMATIC NAME: diethyl 2-ethylpropanedioate
MOLECULAR FORMULA: C9H16O4
MOLECULAR WEIGHT: 188.22094
SMILES: CCC(C(=O)OCC)C(=O)OCC
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Product OPENEYE NAME: calcium 4-amino-2-hydroxy-benzoate
CAS Name: calcium 4-amino-2-hydroxybenzoate
IUPAC NAME: calcium 4-amino-2-hydroxybenzoate
SYSTEMATIC NAME: calcium 4-azanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C7H6CaNO3+
MOLECULAR WEIGHT: 192.20544
SMILES: C1=CC(=C(C=C1N)O)C(=O)[O-].[Ca+2]
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