Tuesday, August 30, 2011

All Chemical Compounds Information




Product OPENEYE NAME: N-[bis(dimethylamino)phosphinothioyl]-N-methyl-methanamine
CAS Name: N-[bis(dimethylamino)phosphinothioyl]-N-methylmethanamine
IUPAC NAME: N-[bis(dimethylamino)phosphinothioyl]-N-methylmethanamine
SYSTEMATIC NAME: N-[bis(dimethylamino)phosphinothioyl]-N-methyl-methanamine
MOLECULAR FORMULA: C6H18N3PS
MOLECULAR WEIGHT: 195.265981
SMILES: CN(C)P(=S)(N(C)C)N(C)C
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Product OPENEYE NAME: naphtho[1,2-b]phenanthrene-5,6-dione
CAS Name: naphtho[1,2-b]phenanthrene-5,6-dione
IUPAC NAME: naphtho[1,2-b]phenanthrene-5,6-dione
SYSTEMATIC NAME: naphtho[1,2-b]phenanthrene-5,6-dione
MOLECULAR FORMULA: C22H12O2
MOLECULAR WEIGHT: 308.32948
SMILES: C1=CC=C2C(=C1)C=CC3=CC4=C(C=C32)C(=O)C(=O)C5=CC=CC=C54
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Product OPENEYE NAME: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-hydroxy-2-phenyl-acetate bromide
CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester bromide
IUPAC NAME: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate bromide
SYSTEMATIC NAME: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate bromide
MOLECULAR FORMULA: C20H30BrNO3
MOLECULAR WEIGHT: 412.3611
SMILES: C[N+]1(CCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)C.[Br-]
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Product OPENEYE NAME: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-hydroxy-2-phenyl-acetate
CAS Name: 2-cyclohexyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester
IUPAC NAME: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate
SYSTEMATIC NAME: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate
MOLECULAR FORMULA: C20H30NO3+
MOLECULAR WEIGHT: 332.4571
SMILES: C[N+]1(CCC(C1)OC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O)C
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Product OPENEYE NAME: (1,2-dimethyl-3-phenyl-pyrrolidin-3-yl) propanoate
CAS Name: propanoic acid (1,2-dimethyl-3-phenyl-3-pyrrolidinyl) ester
IUPAC NAME: (1,2-dimethyl-3-phenylpyrrolidin-3-yl) propanoate
SYSTEMATIC NAME: (1,2-dimethyl-3-phenyl-pyrrolidin-3-yl) propanoate
MOLECULAR FORMULA: C15H21NO2
MOLECULAR WEIGHT: 247.33274
SMILES: CCC(=O)OC1(CCN(C1C)C)C2=CC=CC=C2
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Product OPENEYE NAME: 4-benzyl-5-hydroxy-furan-3-one
CAS Name: 5-hydroxy-4-(phenylmethyl)-3-furanone
IUPAC NAME: 4-benzyl-5-hydroxyfuran-3-one
SYSTEMATIC NAME: 5-oxidanyl-4-(phenylmethyl)furan-3-one
MOLECULAR FORMULA: C11H10O3
MOLECULAR WEIGHT: 190.1953
SMILES: C1C(=O)C(=C(O1)O)CC2=CC=CC=C2
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Product OPENEYE NAME: 1-methyl-1-(1-methyl-2-phenyl-ethyl)hydrazine
CAS Name: 1-methyl-1-(1-phenylpropan-2-yl)hydrazine
IUPAC NAME: 1-methyl-1-(1-phenylpropan-2-yl)hydrazine
SYSTEMATIC NAME: 1-methyl-1-(1-phenylpropan-2-yl)diazane
MOLECULAR FORMULA: C10H16N2
MOLECULAR WEIGHT: 164.24744
SMILES: CC(CC1=CC=CC=C1)N(C)N
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Product OPENEYE NAME: 1-isopropyl-2-(1-methyl-2-phenyl-ethyl)hydrazine
CAS Name: 1-(1-phenylpropan-2-yl)-2-propan-2-ylhydrazine
IUPAC NAME: 1-(1-phenylpropan-2-yl)-2-propan-2-ylhydrazine
SYSTEMATIC NAME: 1-(1-phenylpropan-2-yl)-2-propan-2-yl-diazane
MOLECULAR FORMULA: C12H20N2
MOLECULAR WEIGHT: 192.3006
SMILES: CC(C)NNC(C)CC1=CC=CC=C1
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Product OPENEYE NAME: benzyl-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-diethyl-ammonium benzoate
CAS Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-diethyl-(phenylmethyl)ammonium benzoate
IUPAC NAME: benzyl-[2-(2,6-dimethylanilino)-2-oxoethyl]-diethylazanium benzoate
SYSTEMATIC NAME: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-diethyl-(phenylmethyl)azanium benzoate
MOLECULAR FORMULA: C28H34N2O3
MOLECULAR WEIGHT: 446.58116
SMILES: CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C.C1=CC=C(C=C1)C(=O)[O-]
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C10H6Cl6
MOLECULAR WEIGHT: 338.87264
SMILES: C1C=CC2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H5Cl9
MOLECULAR WEIGHT: 444.2237
SMILES: C12C(C(C(C1Cl)Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H6Cl6N2
MOLECULAR WEIGHT: 366.88604
SMILES: C1C2C3C(C1N=N2)C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl
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Product OPENEYE NAME: 2-diethoxyphosphorylsulfanyl-N,N-diethyl-ethanamine; oxalic acid
CAS Name: 2-(diethoxyphosphorylthio)-N,N-diethylethanamine; oxalic acid
IUPAC NAME: 2-diethoxyphosphorylsulfanyl-N,N-diethylethanamine; oxalic acid
SYSTEMATIC NAME: 2-diethoxyphosphorylsulfanyl-N,N-diethyl-ethanamine; ethanedioic acid
MOLECULAR FORMULA: C12H26NO7PS
MOLECULAR WEIGHT: 359.376101
SMILES: CCN(CC)CCSP(=O)(OCC)OCC.C(=O)(C(=O)O)O
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