Monday, August 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: N-tert-butyl-N-ethyl-nitrous amide
CAS Name: N-tert-butyl-N-ethylnitrous amide
IUPAC NAME: N-tert-butyl-N-ethylnitrous amide
SYSTEMATIC NAME: N-tert-butyl-N-ethyl-nitrous amide
MOLECULAR FORMULA: C6H14N2O
MOLECULAR WEIGHT: 130.18816
SMILES: CCN(C(C)(C)C)N=O
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Product OPENEYE NAME: 5-(dimethylamino)-2-isopropyl-2-(1-naphthyl)pentanenitrile
CAS Name: 5-(dimethylamino)-2-(1-naphthalenyl)-2-propan-2-ylpentanenitrile
IUPAC NAME: 5-(dimethylamino)-2-naphthalen-1-yl-2-propan-2-ylpentanenitrile
SYSTEMATIC NAME: 5-(dimethylamino)-2-naphthalen-1-yl-2-propan-2-yl-pentanenitrile
MOLECULAR FORMULA: C20H26N2
MOLECULAR WEIGHT: 294.43384
SMILES: CC(C)C(CCCN(C)C)(C#N)C1=CC=CC2=CC=CC=C21
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Product OPENEYE NAME: 5-(dimethylamino)-2-(1-naphthyl)pentanenitrile
CAS Name: 5-(dimethylamino)-2-(1-naphthalenyl)pentanenitrile
IUPAC NAME: 5-(dimethylamino)-2-naphthalen-1-ylpentanenitrile
SYSTEMATIC NAME: 5-(dimethylamino)-2-naphthalen-1-yl-pentanenitrile
MOLECULAR FORMULA: C17H20N2
MOLECULAR WEIGHT: 252.3541
SMILES: CN(C)CCCC(C#N)C1=CC=CC2=CC=CC=C21
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Product OPENEYE NAME: N-methylheptanamide
CAS Name: N-methylheptanamide
IUPAC NAME: N-methylheptanamide
SYSTEMATIC NAME: N-methylheptanamide
MOLECULAR FORMULA: C8H17NO
MOLECULAR WEIGHT: 143.22668
SMILES: CCCCCCC(=O)NC
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Product OPENEYE NAME: N-methylnaphthalene-1-carboxamide
CAS Name: N-methyl-1-naphthalenecarboxamide
IUPAC NAME: N-methylnaphthalene-1-carboxamide
SYSTEMATIC NAME: N-methylnaphthalene-1-carboxamide
MOLECULAR FORMULA: C12H11NO
MOLECULAR WEIGHT: 185.22184
SMILES: CNC(=O)C1=CC=CC2=CC=CC=C21
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Product OPENEYE NAME: cyclopentanecarboxylic acid
CAS Name: cyclopentanecarboxylic acid
IUPAC NAME: cyclopentanecarboxylic acid
SYSTEMATIC NAME: cyclopentanecarboxylic acid
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: C1CCC(C1)C(=O)O
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Product OPENEYE NAME: tetrasodium 2-[(3-carboxylato-2-sulfonato-propanoyl)-octadecyl-amino]butanedioate
CAS Name: tetrasodium 2-[(3-carboxylato-1-oxo-2-sulfonatopropyl)-octadecylamino]butanedioate
IUPAC NAME: tetrasodium 2-[(3-carboxylato-2-sulfonatopropanoyl)-octadecylamino]butanedioate
SYSTEMATIC NAME: tetrasodium 2-[octadecyl-(4-oxidanidyl-4-oxidanylidene-2-sulfonato-butanoyl)amino]butanedioate
MOLECULAR FORMULA: C26H43NNa4O10S
MOLECULAR WEIGHT: 653.6444
SMILES: CCCCCCCCCCCCCCCCCCN(C(CC(=O)[O-])C(=O)[O-])C(=O)C(CC(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
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Product OPENEYE NAME: 2-[(3-carboxy-2-sulfo-propanoyl)-octadecyl-amino]butanedioic acid
CAS Name: 2-[(3-carboxy-1-oxo-2-sulfopropyl)-octadecylamino]butanedioic acid
IUPAC NAME: 2-[(3-carboxy-2-sulfopropanoyl)-octadecylamino]butanedioic acid
SYSTEMATIC NAME: 2-[octadecyl-(4-oxidanyl-4-oxidanylidene-2-sulfo-butanoyl)amino]butanedioic acid
MOLECULAR FORMULA: C26H47NO10S
MOLECULAR WEIGHT: 565.71708
SMILES: CCCCCCCCCCCCCCCCCCN(C(CC(=O)O)C(=O)O)C(=O)C(CC(=O)O)S(=O)(=O)O
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Product OPENEYE NAME: didodecyl(dimethyl)ammonium chloride
CAS Name: didodecyl(dimethyl)ammonium chloride
IUPAC NAME: didodecyl(dimethyl)azanium chloride
SYSTEMATIC NAME: didodecyl(dimethyl)azanium chloride
MOLECULAR FORMULA: C26H56ClN
MOLECULAR WEIGHT: 418.18254
SMILES: CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Cl-]
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Product OPENEYE NAME: 3,6-dichloro-2-hydroxy-benzoic acid
CAS Name: 3,6-dichloro-2-hydroxybenzoic acid
IUPAC NAME: 3,6-dichloro-2-hydroxybenzoic acid
SYSTEMATIC NAME: 3,6-bis(chloranyl)-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C7H4Cl2O3
MOLECULAR WEIGHT: 207.01086
SMILES: C1=CC(=C(C(=C1Cl)C(=O)O)O)Cl
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Product OPENEYE NAME: (2S,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxo-hexanoic acid
CAS Name: (2S,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
IUPAC NAME: (2S,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
SYSTEMATIC NAME: (2S,3R,4R,5S)-2,3,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexanoic acid
MOLECULAR FORMULA: C6H10O7
MOLECULAR WEIGHT: 194.1394
SMILES: C(=O)[C@H]([C@@H]([C@H]([C@@H](C(=O)O)O)O)O)O
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Product OPENEYE NAME: but-2-enedioic acid; 3-(2-methoxyphenothiazin-10-yl)-N,N-dimethyl-propan-1-amine
CAS Name: but-2-enedioic acid; 3-(2-methoxy-10-phenothiazinyl)-N,N-dimethyl-1-propanamine
IUPAC NAME: but-2-enedioic acid; 3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine
SYSTEMATIC NAME: but-2-enedioic acid; 3-(2-methoxyphenothiazin-10-yl)-N,N-dimethyl-propan-1-amine
MOLECULAR FORMULA: C22H26N2O5S
MOLECULAR WEIGHT: 430.51724
SMILES: CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)OC.C(=CC(=O)O)C(=O)O
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Product OPENEYE NAME: 3-(2-methoxyphenothiazin-10-yl)-N,N-dimethyl-propan-1-amine
CAS Name: 3-(2-methoxy-10-phenothiazinyl)-N,N-dimethyl-1-propanamine
IUPAC NAME: 3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine
SYSTEMATIC NAME: 3-(2-methoxyphenothiazin-10-yl)-N,N-dimethyl-propan-1-amine
MOLECULAR FORMULA: C18H22N2OS
MOLECULAR WEIGHT: 314.44508
SMILES: CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)OC
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Product OPENEYE NAME: 3-methylhex-1-ene
CAS Name: 3-methyl-1-hexene
IUPAC NAME: 3-methylhex-1-ene
SYSTEMATIC NAME: 3-methylhex-1-ene
MOLECULAR FORMULA: C7H14
MOLECULAR WEIGHT: 98.18606
SMILES: CCCC(C)C=C
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Product OPENEYE NAME: 5-methylhex-2-ene
CAS Name: 5-methyl-2-hexene
IUPAC NAME: 5-methylhex-2-ene
SYSTEMATIC NAME: 5-methylhex-2-ene
MOLECULAR FORMULA: C7H14
MOLECULAR WEIGHT: 98.18606
SMILES: CC=CCC(C)C
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Product OPENEYE NAME: 3-methylenepent-1-ene
CAS Name: 3-methylene-1-pentene
IUPAC NAME: 3-methylidenepent-1-ene
SYSTEMATIC NAME: 3-methylidenepent-1-ene
MOLECULAR FORMULA: C6H10
MOLECULAR WEIGHT: 82.1436
SMILES: CCC(=C)C=C
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Product OPENEYE NAME: 2,3-dimethylpent-1-ene
CAS Name: 2,3-dimethyl-1-pentene
IUPAC NAME: 2,3-dimethylpent-1-ene
SYSTEMATIC NAME: 2,3-dimethylpent-1-ene
MOLECULAR FORMULA: C7H14
MOLECULAR WEIGHT: 98.18606
SMILES: CCC(C)C(=C)C
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Product OPENEYE NAME: 3,3-dimethylpent-1-ene
CAS Name: 3,3-dimethyl-1-pentene
IUPAC NAME: 3,3-dimethylpent-1-ene
SYSTEMATIC NAME: 3,3-dimethylpent-1-ene
MOLECULAR FORMULA: C7H14
MOLECULAR WEIGHT: 98.18606
SMILES: CCC(C)(C)C=C
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