Friday, April 26, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 4,6-dimethyl-2-(5-vinylpyrimidin-2-yl)pyrimidine
CAS Name: 2-(5-ethenyl-2-pyrimidinyl)-4,6-dimethylpyrimidine
IUPAC NAME: 2-(5-ethenylpyrimidin-2-yl)-4,6-dimethylpyrimidine
SYSTEMATIC NAME: 2-(5-ethenylpyrimidin-2-yl)-4,6-dimethyl-pyrimidine
MOLECULAR FORMULA: C12H12N4
MOLECULAR WEIGHT: 212.25048
SMILES: CC1=CC(=NC(=N1)C2=NC=C(C=N2)C=C)C
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Product OPENEYE NAME: [(Z,3R,4S)-4-hydroxy-1,3,5-trimethyl-hex-1-enyl] N,N-diisopropylcarbamate
CAS Name: N,N-di(propan-2-yl)carbamic acid [(Z,4R,5S)-5-hydroxy-4,6-dimethylhept-2-en-2-yl] ester
IUPAC NAME: [(Z,4R,5S)-5-hydroxy-4,6-dimethylhept-2-en-2-yl] N,N-di(propan-2-yl)carbamate
SYSTEMATIC NAME: [(Z,4R,5S)-4,6-dimethyl-5-oxidanyl-hept-2-en-2-yl] N,N-di(propan-2-yl)carbamate
MOLECULAR FORMULA: C16H31NO3
MOLECULAR WEIGHT: 285.42224
SMILES: C[C@H](/C=C(/C)\OC(=O)N(C(C)C)C(C)C)[C@H](C(C)C)O
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Product OPENEYE NAME: 3-(p-tolylsulfinyl)but-3-en-2-ol
CAS Name: 3-(4-methylphenyl)sulfinyl-3-buten-2-ol
IUPAC NAME: 3-(4-methylphenyl)sulfinylbut-3-en-2-ol
SYSTEMATIC NAME: 3-(4-methylphenyl)sulfinylbut-3-en-2-ol
MOLECULAR FORMULA: C11H14O2S
MOLECULAR WEIGHT: 210.29266
SMILES: CC1=CC=C(C=C1)S(=O)C(=C)C(C)O
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Product OPENEYE NAME: butyl 2-oxocyclohexanecarboxylate
CAS Name: 2-oxo-1-cyclohexanecarboxylic acid butyl ester
IUPAC NAME: butyl 2-oxocyclohexane-1-carboxylate
SYSTEMATIC NAME: butyl 2-oxidanylidenecyclohexane-1-carboxylate
MOLECULAR FORMULA: C11H18O3
MOLECULAR WEIGHT: 198.25882
SMILES: CCCCOC(=O)C1CCCCC1=O
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Product OPENEYE NAME: 2,3-dimethoxy-5,6-diphenyl-phenol
CAS Name: 2,3-dimethoxy-5,6-diphenylphenol
IUPAC NAME: 2,3-dimethoxy-5,6-diphenylphenol
SYSTEMATIC NAME: 2,3-dimethoxy-5,6-diphenyl-phenol
MOLECULAR FORMULA: C20H18O3
MOLECULAR WEIGHT: 306.35512
SMILES: COC1=C(C(=C(C(=C1)C2=CC=CC=C2)C3=CC=CC=C3)O)OC
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Product OPENEYE NAME: 2,3-dimethoxy-5-methyl-6-phenyl-phenol
CAS Name: 2,3-dimethoxy-5-methyl-6-phenylphenol
IUPAC NAME: 2,3-dimethoxy-5-methyl-6-phenylphenol
SYSTEMATIC NAME: 2,3-dimethoxy-5-methyl-6-phenyl-phenol
MOLECULAR FORMULA: C15H16O3
MOLECULAR WEIGHT: 244.28574
SMILES: CC1=CC(=C(C(=C1C2=CC=CC=C2)O)OC)OC
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Product OPENEYE NAME: (2S,5S,7R,10S)-10-isopropyl-2,7-dimethyl-1,4-dioxaspiro[4.5]decan-3-one
CAS Name: (2S,5S,7R,10S)-2,7-dimethyl-10-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-one
IUPAC NAME: (2S,5S,7R,10S)-2,7-dimethyl-10-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-one
SYSTEMATIC NAME: (2S,5S,7R,10S)-2,7-dimethyl-10-propan-2-yl-1,4-dioxaspiro[4.5]decan-3-one
MOLECULAR FORMULA: C13H22O3
MOLECULAR WEIGHT: 226.31198
SMILES: C[C@@H]1CC[C@H]([C@@]2(C1)O[C@H](C(=O)O2)C)C(C)C
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Product OPENEYE NAME: undec-6-yn-1-ol
CAS Name: 6-undecyn-1-ol
IUPAC NAME: undec-6-yn-1-ol
SYSTEMATIC NAME: undec-6-yn-1-ol
MOLECULAR FORMULA: C11H20O
MOLECULAR WEIGHT: 168.2759
SMILES: CCCCC#CCCCCCO
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Product OPENEYE NAME: deca-3,4-dien-1-ol
CAS Name: 1-deca-3,4-dienol
IUPAC NAME: deca-3,4-dien-1-ol
SYSTEMATIC NAME: deca-3,4-dien-1-ol
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: CCCCCC=C=CCCO
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Product OPENEYE NAME: undeca-3,4-dien-1-ol
CAS Name: 1-undeca-3,4-dienol
IUPAC NAME: undeca-3,4-dien-1-ol
SYSTEMATIC NAME: undeca-3,4-dien-1-ol
MOLECULAR FORMULA: C11H20O
MOLECULAR WEIGHT: 168.2759
SMILES: CCCCCCC=C=CCCO
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Product OPENEYE NAME: 2-(2-chloroacetyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
CAS Name: 2-(2-chloro-1-oxoethyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
IUPAC NAME: 2-(2-chloroacetyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
SYSTEMATIC NAME: 2-(2-chloranylethanoyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
MOLECULAR FORMULA: C7H9ClN4O2
MOLECULAR WEIGHT: 216.62496
SMILES: C1CN=C2NN(C(=O)N2C1)C(=O)CCl
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Product OPENEYE NAME: benzene-1,4-dicarbonyl azide
CAS Name: azido-(4-carbonazidoylphenyl)methanone
IUPAC NAME: benzene-1,4-dicarbonyl azide
SYSTEMATIC NAME: azido-(4-carbonazidoylphenyl)methanone
MOLECULAR FORMULA: C8H4N6O2
MOLECULAR WEIGHT: 216.15636
SMILES: C1=CC(=CC=C1C(=O)N=[N+]=[N-])C(=O)N=[N+]=[N-]
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Product OPENEYE NAME: 2,15-dibromocyclopentadecanone
CAS Name: 2,15-dibromo-1-cyclopentadecanone
IUPAC NAME: 2,15-dibromocyclopentadecan-1-one
SYSTEMATIC NAME: 2,15-bis(bromanyl)cyclopentadecan-1-one
MOLECULAR FORMULA: C15H26Br2O
MOLECULAR WEIGHT: 382.17434
SMILES: C1CCCCCCC(C(=O)C(CCCCC1)Br)Br
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Product OPENEYE NAME: N-(1,1,3,3-tetramethylbutyl)propan-1-imine
CAS Name: N-(2,4,4-trimethylpentan-2-yl)-1-propanimine
IUPAC NAME: N-(2,4,4-trimethylpentan-2-yl)propan-1-imine
SYSTEMATIC NAME: N-(2,4,4-trimethylpentan-2-yl)propan-1-imine
MOLECULAR FORMULA: C11H23N
MOLECULAR WEIGHT: 169.30702
SMILES: CCC=NC(C)(C)CC(C)(C)C
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Product OPENEYE NAME: 1-tert-butyl-3,5-dimethyl-2-phenyl-azaphosphinine
CAS Name: 1-tert-butyl-3,5-dimethyl-2-phenylazaphosphorine
IUPAC NAME: 1-tert-butyl-3,5-dimethyl-2-phenylazaphosphinine
SYSTEMATIC NAME: 1-tert-butyl-3,5-dimethyl-2-phenyl-1,2-azaphosphinine
MOLECULAR FORMULA: C16H22NP
MOLECULAR WEIGHT: 259.326341
SMILES: CC1=CC(=CN(P1C2=CC=CC=C2)C(C)(C)C)C
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Product OPENEYE NAME: 1-isopropyl-3,5-dimethyl-2-phenyl-azaphosphinine
CAS Name: 3,5-dimethyl-2-phenyl-1-propan-2-ylazaphosphorine
IUPAC NAME: 3,5-dimethyl-2-phenyl-1-propan-2-ylazaphosphinine
SYSTEMATIC NAME: 3,5-dimethyl-2-phenyl-1-propan-2-yl-1,2-azaphosphinine
MOLECULAR FORMULA: C15H20NP
MOLECULAR WEIGHT: 245.299761
SMILES: CC1=CC(=CN(P1C2=CC=CC=C2)C(C)C)C
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Product OPENEYE NAME: 1-benzyl-3,5-dimethyl-2-phenyl-azaphosphinine
CAS Name: 3,5-dimethyl-2-phenyl-1-(phenylmethyl)azaphosphorine
IUPAC NAME: 1-benzyl-3,5-dimethyl-2-phenylazaphosphinine
SYSTEMATIC NAME: 3,5-dimethyl-2-phenyl-1-(phenylmethyl)-1,2-azaphosphinine
MOLECULAR FORMULA: C19H20NP
MOLECULAR WEIGHT: 293.342561
SMILES: CC1=CC(=CN(P1C2=CC=CC=C2)CC3=CC=CC=C3)C
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Product OPENEYE NAME: 1-isobutyl-3,5-dimethyl-2-phenyl-azaphosphinine
CAS Name: 3,5-dimethyl-1-(2-methylpropyl)-2-phenylazaphosphorine
IUPAC NAME: 3,5-dimethyl-1-(2-methylpropyl)-2-phenylazaphosphinine
SYSTEMATIC NAME: 3,5-dimethyl-1-(2-methylpropyl)-2-phenyl-1,2-azaphosphinine
MOLECULAR FORMULA: C16H22NP
MOLECULAR WEIGHT: 259.326341
SMILES: CC1=CC(=CN(P1C2=CC=CC=C2)CC(C)C)C
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