Friday, August 12, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 1,7-diphenylnaphthalene
CAS Name: 1,7-diphenylnaphthalene
IUPAC NAME: 1,7-diphenylnaphthalene
SYSTEMATIC NAME: 1,7-diphenylnaphthalene
MOLECULAR FORMULA: C22H16
MOLECULAR WEIGHT: 280.36244
SMILES: C1=CC=C(C=C1)C2=CC3=C(C=CC=C3C4=CC=CC=C4)C=C2
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Product OPENEYE NAME: 4,4-diphenyl-1-pyrrolidin-1-ium-1-yl-butan-2-one chloride
CAS Name: 4,4-diphenyl-1-(1-pyrrolidin-1-iumyl)-2-butanone chloride
IUPAC NAME: 4,4-diphenyl-1-pyrrolidin-1-ium-1-ylbutan-2-one chloride
SYSTEMATIC NAME: 4,4-diphenyl-1-pyrrolidin-1-ium-1-yl-butan-2-one chloride
MOLECULAR FORMULA: C20H24ClNO
MOLECULAR WEIGHT: 329.86366
SMILES: C1CC[NH+](C1)CC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]
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Product OPENEYE NAME: 4,4-diphenyl-1-pyrrolidin-1-yl-butan-2-one
CAS Name: 4,4-diphenyl-1-(1-pyrrolidinyl)-2-butanone
IUPAC NAME: 4,4-diphenyl-1-pyrrolidin-1-ylbutan-2-one
SYSTEMATIC NAME: 4,4-diphenyl-1-pyrrolidin-1-yl-butan-2-one
MOLECULAR FORMULA: C20H23NO
MOLECULAR WEIGHT: 293.40272
SMILES: C1CCN(C1)CC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2,4-dinitro-N-(4-nitrophenyl)aniline
CAS Name: 2,4-dinitro-N-(4-nitrophenyl)aniline
IUPAC NAME: 2,4-dinitro-N-(4-nitrophenyl)aniline
SYSTEMATIC NAME: 2,4-dinitro-N-(4-nitrophenyl)aniline
MOLECULAR FORMULA: C12H8N4O6
MOLECULAR WEIGHT: 304.21512
SMILES: C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 2,4-dinitro-N-(3-nitrophenyl)aniline
CAS Name: 2,4-dinitro-N-(3-nitrophenyl)aniline
IUPAC NAME: 2,4-dinitro-N-(3-nitrophenyl)aniline
SYSTEMATIC NAME: 2,4-dinitro-N-(3-nitrophenyl)aniline
MOLECULAR FORMULA: C12H8N4O6
MOLECULAR WEIGHT: 304.21512
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: benzenesulfonate; trimethyl-[6-(trimethylammonio)hexyl]ammonium
CAS Name: benzenesulfonate; trimethyl-[6-(trimethylammonio)hexyl]ammonium
IUPAC NAME: benzenesulfonate; trimethyl-[6-(trimethylazaniumyl)hexyl]azanium
SYSTEMATIC NAME: benzenesulfonate; trimethyl-[6-(trimethylazaniumyl)hexyl]azanium
MOLECULAR FORMULA: C24H40N2O6S2
MOLECULAR WEIGHT: 516.7142
SMILES: C[N+](C)(C)CCCCCC[N+](C)(C)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]
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Product OPENEYE NAME: 2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate; diethyl-[(5-methylisoxazol-3-yl)methyl]ammonium
CAS Name: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; diethyl-[(5-methyl-3-isoxazolyl)methyl]ammonium
IUPAC NAME: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; diethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]azanium
SYSTEMATIC NAME: diethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]azanium; 2-(2-hydroxy-2-oxoethyl)-2,4-bis(oxidanyl)-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C15H24N2O8
MOLECULAR WEIGHT: 360.35966
SMILES: CC[NH+](CC)CC1=NOC(=C1)C.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O
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Product OPENEYE NAME: N-ethyl-N-[(5-methylisoxazol-3-yl)methyl]ethanamine
CAS Name: N-ethyl-N-[(5-methyl-3-isoxazolyl)methyl]ethanamine
IUPAC NAME: N-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
SYSTEMATIC NAME: N-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
MOLECULAR FORMULA: C9H16N2O
MOLECULAR WEIGHT: 168.23614
SMILES: CCN(CC)CC1=NOC(=C1)C
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Product OPENEYE NAME: 2-(carboxymethyl)-2,4-dihydroxy-4-oxo-butanoate; diethyl-[2-(5-methylisoxazol-3-yl)ethyl]ammonium
CAS Name: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; diethyl-[2-(5-methyl-3-isoxazolyl)ethyl]ammonium
IUPAC NAME: 2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate; diethyl-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]azanium
SYSTEMATIC NAME: diethyl-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]azanium; 2-(2-hydroxy-2-oxoethyl)-2,4-bis(oxidanyl)-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C16H26N2O8
MOLECULAR WEIGHT: 374.38624
SMILES: CC[NH+](CC)CCC1=NOC(=C1)C.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O
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Product OPENEYE NAME: N,N-diethyl-2-(5-methylisoxazol-3-yl)ethanamine
CAS Name: N,N-diethyl-2-(5-methyl-3-isoxazolyl)ethanamine
IUPAC NAME: N,N-diethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine
SYSTEMATIC NAME: N,N-diethyl-2-(5-methyl-1,2-oxazol-3-yl)ethanamine
MOLECULAR FORMULA: C10H18N2O
MOLECULAR WEIGHT: 182.26272
SMILES: CCN(CC)CCC1=NOC(=C1)C
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Product OPENEYE NAME: 2-amino-1-methyl-1,5-dihydroimidazol-1-ium-4-one; 2-(5-hydroxy-1H-indol-3-yl)ethylammonium; sulfate
CAS Name: 2-amino-1-methyl-1,5-dihydroimidazol-1-ium-4-one; 2-(5-hydroxy-1H-indol-3-yl)ethylammonium; sulfate
IUPAC NAME: 2-amino-1-methyl-1,5-dihydroimidazol-1-ium-4-one; 2-(5-hydroxy-1H-indol-3-yl)ethylazanium; sulfate
SYSTEMATIC NAME: 2-azanyl-1-methyl-1,5-dihydroimidazol-1-ium-4-one; 2-(5-oxidanyl-1H-indol-3-yl)ethylazanium; sulfate
MOLECULAR FORMULA: C14H21N5O6S
MOLECULAR WEIGHT: 387.41144
SMILES: C[NH+]1CC(=O)N=C1N.C1=CC2=C(C=C1O)C(=CN2)CC[NH3+].[O-]S(=O)(=O)[O-]
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Product OPENEYE NAME: 5,5-dimethyl-1,3-bis(morpholinomethyl)imidazolidine-2,4-dione
CAS Name: 5,5-dimethyl-1,3-bis(4-morpholinylmethyl)imidazolidine-2,4-dione
IUPAC NAME: 5,5-dimethyl-1,3-bis(morpholin-4-ylmethyl)imidazolidine-2,4-dione
SYSTEMATIC NAME: 5,5-dimethyl-1,3-bis(morpholin-4-ylmethyl)imidazolidine-2,4-dione
MOLECULAR FORMULA: C15H26N4O4
MOLECULAR WEIGHT: 326.39134
SMILES: CC1(C(=O)N(C(=O)N1CN2CCOCC2)CN3CCOCC3)C
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