Friday, August 26, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1,1,2-trichlorobuta-1,3-diene
CAS Name: 1,1,2-trichlorobuta-1,3-diene
IUPAC NAME: 1,1,2-trichlorobuta-1,3-diene
SYSTEMATIC NAME: 1,1,2-tris(chloranyl)buta-1,3-diene
MOLECULAR FORMULA: C4H3Cl3
MOLECULAR WEIGHT: 157.42562
SMILES: C=CC(=C(Cl)Cl)Cl
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Product OPENEYE NAME: bis-m-tolylmethanone
CAS Name: bis(3-methylphenyl)methanone
IUPAC NAME: bis(3-methylphenyl)methanone
SYSTEMATIC NAME: bis(3-methylphenyl)methanone
MOLECULAR FORMULA: C15H14O
MOLECULAR WEIGHT: 210.27106
SMILES: CC1=CC=CC(=C1)C(=O)C2=CC(=CC=C2)C
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Product OPENEYE NAME: 3-(aminomethyl)-3,5,5-trimethyl-cyclohexanamine
CAS Name: 3-(aminomethyl)-3,5,5-trimethyl-1-cyclohexanamine
IUPAC NAME: 3-(aminomethyl)-3,5,5-trimethylcyclohexan-1-amine
SYSTEMATIC NAME: 3-(aminomethyl)-3,5,5-trimethyl-cyclohexan-1-amine
MOLECULAR FORMULA: C10H22N2
MOLECULAR WEIGHT: 170.29508
SMILES: CC1(CC(CC(C1)(C)CN)N)C
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Product OPENEYE NAME: 2-decyloxirane
CAS Name: 2-decyloxirane
IUPAC NAME: 2-decyloxirane
SYSTEMATIC NAME: 2-decyloxirane
MOLECULAR FORMULA: C12H24O
MOLECULAR WEIGHT: 184.31836
SMILES: CCCCCCCCCCC1CO1
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Product OPENEYE NAME: 2-methyl-3-(1-piperidyl)pyrazine; sulfuric acid
CAS Name: 2-methyl-3-(1-piperidinyl)pyrazine; sulfuric acid
IUPAC NAME: 2-methyl-3-piperidin-1-ylpyrazine; sulfuric acid
SYSTEMATIC NAME: 2-methyl-3-piperidin-1-yl-pyrazine; sulfuric acid
MOLECULAR FORMULA: C10H17N3O4S
MOLECULAR WEIGHT: 275.32468
SMILES: CC1=NC=CN=C1N2CCCCC2.OS(=O)(=O)O
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Product OPENEYE NAME: 2-methyl-3-(1-piperidyl)pyrazine
CAS Name: 2-methyl-3-(1-piperidinyl)pyrazine
IUPAC NAME: 2-methyl-3-piperidin-1-ylpyrazine
SYSTEMATIC NAME: 2-methyl-3-piperidin-1-yl-pyrazine
MOLECULAR FORMULA: C10H15N3
MOLECULAR WEIGHT: 177.2462
SMILES: CC1=NC=CN=C1N2CCCCC2
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Product OPENEYE NAME: 3-(3-pyridyl)propan-1-ol
CAS Name: 3-(3-pyridinyl)-1-propanol
IUPAC NAME: 3-pyridin-3-ylpropan-1-ol
SYSTEMATIC NAME: 3-pyridin-3-ylpropan-1-ol
MOLECULAR FORMULA: C8H11NO
MOLECULAR WEIGHT: 137.17904
SMILES: C1=CC(=CN=C1)CCCO
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Product OPENEYE NAME: 1-(3,4-dichlorophenyl)-3-methyl-pyrrolidin-2-one
CAS Name: 1-(3,4-dichlorophenyl)-3-methyl-2-pyrrolidinone
IUPAC NAME: 1-(3,4-dichlorophenyl)-3-methylpyrrolidin-2-one
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-3-methyl-pyrrolidin-2-one
MOLECULAR FORMULA: C11H11Cl2NO
MOLECULAR WEIGHT: 244.11714
SMILES: CC1CCN(C1=O)C2=CC(=C(C=C2)Cl)Cl
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Product OPENEYE NAME: 2-bromoethyl(dimethyl)ammonium bromide
CAS Name: 2-bromoethyl(dimethyl)ammonium bromide
IUPAC NAME: 2-bromoethyl(dimethyl)azanium bromide
SYSTEMATIC NAME: 2-bromoethyl(dimethyl)azanium bromide
MOLECULAR FORMULA: C4H11Br2N
MOLECULAR WEIGHT: 232.94484
SMILES: C[NH+](C)CCBr.[Br-]
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Product OPENEYE NAME: 2-bromo-N,N-dimethyl-ethanamine
CAS Name: 2-bromo-N,N-dimethylethanamine
IUPAC NAME: 2-bromo-N,N-dimethylethanamine
SYSTEMATIC NAME: 2-bromanyl-N,N-dimethyl-ethanamine
MOLECULAR FORMULA: C4H10BrN
MOLECULAR WEIGHT: 152.0329
SMILES: CN(C)CCBr
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Product OPENEYE NAME: 10-chlorophenoxarsinine
CAS Name: 10-chlorophenoxarsinine
IUPAC NAME: 10-chlorophenoxarsinine
SYSTEMATIC NAME: 10-chloranylphenoxarsinine
MOLECULAR FORMULA: C12H8AsClO
MOLECULAR WEIGHT: 278.56592
SMILES: C1=CC=C2C(=C1)OC3=CC=CC=C3[As]2Cl
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Product OPENEYE NAME: 2-(dihexylamino)acetohydrazide
CAS Name: 2-(dihexylamino)acetohydrazide
IUPAC NAME: 2-(dihexylamino)acetohydrazide
SYSTEMATIC NAME: 2-(dihexylamino)ethanehydrazide
MOLECULAR FORMULA: C14H31N3O
MOLECULAR WEIGHT: 257.41544
SMILES: CCCCCCN(CCCCCC)CC(=O)NN
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