Tuesday, August 9, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 4,4-dimethylpent-2-ene
CAS Name: 4,4-dimethyl-2-pentene
IUPAC NAME: 4,4-dimethylpent-2-ene
SYSTEMATIC NAME: 4,4-dimethylpent-2-ene
MOLECULAR FORMULA: C7H14
MOLECULAR WEIGHT: 98.18606
SMILES: CC=CC(C)(C)C
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Product OPENEYE NAME: 1,1,1,3,3,3-hexafluoropropane
CAS Name: 1,1,1,3,3,3-hexafluoropropane
IUPAC NAME: 1,1,1,3,3,3-hexafluoropropane
SYSTEMATIC NAME: 1,1,1,3,3,3-hexakis(fluoranyl)propane
MOLECULAR FORMULA: C3H2F6
MOLECULAR WEIGHT: 152.038399
SMILES: C(C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: 2-methylhex-5-en-3-yn-2-ol
CAS Name: 2-methyl-2-hex-5-en-3-ynol
IUPAC NAME: 2-methylhex-5-en-3-yn-2-ol
SYSTEMATIC NAME: 2-methylhex-5-en-3-yn-2-ol
MOLECULAR FORMULA: C7H10O
MOLECULAR WEIGHT: 110.1537
SMILES: CC(C)(C#CC=C)O
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Product OPENEYE NAME: 4-methylpent-1-ene
CAS Name: 4-methyl-1-pentene
IUPAC NAME: 4-methylpent-1-ene
SYSTEMATIC NAME: 4-methylpent-1-ene
MOLECULAR FORMULA: C6H12
MOLECULAR WEIGHT: 84.15948
SMILES: CC(C)CC=C
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Product OPENEYE NAME: isopropylurea
CAS Name: propan-2-ylurea
IUPAC NAME: propan-2-ylurea
SYSTEMATIC NAME: 1-propan-2-ylurea
MOLECULAR FORMULA: C4H10N2O
MOLECULAR WEIGHT: 102.135
SMILES: CC(C)NC(=O)N
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Product OPENEYE NAME: disec-butylmercury
CAS Name: di(butan-2-yl)mercury
IUPAC NAME: di(butan-2-yl)mercury
SYSTEMATIC NAME: di(butan-2-yl)mercury
MOLECULAR FORMULA: C8H18Hg
MOLECULAR WEIGHT: 314.81852
SMILES: CCC(C)[Hg]C(C)CC
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Product OPENEYE NAME: butyl(dichloro)arsane
CAS Name: butyl(dichloro)arsine
IUPAC NAME: butyl(dichloro)arsane
SYSTEMATIC NAME: butyl-bis(chloranyl)arsane
MOLECULAR FORMULA: C4H9AsCl2
MOLECULAR WEIGHT: 202.94186
SMILES: CCCC[As](Cl)Cl
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Product OPENEYE NAME: diethylarsane
CAS Name: diethylarsine
IUPAC NAME: diethylarsane
SYSTEMATIC NAME: diethylarsane
MOLECULAR FORMULA: C4H11As
MOLECULAR WEIGHT: 134.05174
SMILES: CC[AsH]CC
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Product OPENEYE NAME: ethyl undec-10-enoate
CAS Name: 10-undecenoic acid ethyl ester
IUPAC NAME: ethyl undec-10-enoate
SYSTEMATIC NAME: ethyl undec-10-enoate
MOLECULAR FORMULA: C13H24O2
MOLECULAR WEIGHT: 212.32846
SMILES: CCOC(=O)CCCCCCCCC=C
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Product OPENEYE NAME: dichloro(pentyl)arsane
CAS Name: dichloro(pentyl)arsine
IUPAC NAME: dichloro(pentyl)arsane
SYSTEMATIC NAME: bis(chloranyl)-pentyl-arsane
MOLECULAR FORMULA: C5H11AsCl2
MOLECULAR WEIGHT: 216.96844
SMILES: CCCCC[As](Cl)Cl
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Product OPENEYE NAME: pentylarsane
CAS Name: pentylarsine
IUPAC NAME: pentylarsane
SYSTEMATIC NAME: pentylarsane
MOLECULAR FORMULA: C5H13As
MOLECULAR WEIGHT: 148.07832
SMILES: CCCCC[AsH2]
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Product OPENEYE NAME: hex-1-yne
CAS Name: 1-hexyne
IUPAC NAME: hex-1-yne
SYSTEMATIC NAME: hex-1-yne
MOLECULAR FORMULA: C6H10
MOLECULAR WEIGHT: 82.1436
SMILES: CCCCC#C
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Product OPENEYE NAME: 1-chloro-2-ethylsulfanyl-ethane
CAS Name: 1-chloro-2-(ethylthio)ethane
IUPAC NAME: 1-chloro-2-ethylsulfanylethane
SYSTEMATIC NAME: 1-chloranyl-2-ethylsulfanyl-ethane
MOLECULAR FORMULA: C4H9ClS
MOLECULAR WEIGHT: 124.63226
SMILES: CCSCCCl
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Product OPENEYE NAME: N,N'-diisopropylmethanediimine
CAS Name: N,N'-di(propan-2-yl)methanediimine
IUPAC NAME: N,N'-di(propan-2-yl)methanediimine
SYSTEMATIC NAME: N,N'-di(propan-2-yl)methanediimine
MOLECULAR FORMULA: C7H14N2
MOLECULAR WEIGHT: 126.19946
SMILES: CC(C)N=C=NC(C)C
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Product OPENEYE NAME: octan-2-amine
CAS Name: 2-octanamine
IUPAC NAME: octan-2-amine
SYSTEMATIC NAME: octan-2-amine
MOLECULAR FORMULA: C8H19N
MOLECULAR WEIGHT: 129.24316
SMILES: CCCCCCC(C)N
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Product OPENEYE NAME: dodecanedioic acid
CAS Name: dodecanedioic acid
IUPAC NAME: dodecanedioic acid
SYSTEMATIC NAME: dodecanedioic acid
MOLECULAR FORMULA: C12H22O4
MOLECULAR WEIGHT: 230.30068
SMILES: C(CCCCCC(=O)O)CCCCC(=O)O
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Product OPENEYE NAME: 2-(2-chloroethylsulfanyl)ethanol
CAS Name: 2-(2-chloroethylthio)ethanol
IUPAC NAME: 2-(2-chloroethylsulfanyl)ethanol
SYSTEMATIC NAME: 2-(2-chloroethylsulfanyl)ethanol
MOLECULAR FORMULA: C4H9ClOS
MOLECULAR WEIGHT: 140.63166
SMILES: C(CSCCCl)O
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Product OPENEYE NAME: octadecyl 3-(3-octadecoxy-3-oxo-propyl)sulfanylpropanoate
CAS Name: 3-[(3-octadecoxy-3-oxopropyl)thio]propanoic acid octadecyl ester
IUPAC NAME: octadecyl 3-(3-octadecoxy-3-oxopropyl)sulfanylpropanoate
SYSTEMATIC NAME: octadecyl 3-(3-octadecoxy-3-oxidanylidene-propyl)sulfanylpropanoate
MOLECULAR FORMULA: C42H82O4S
MOLECULAR WEIGHT: 683.16308
SMILES: CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC
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Product OPENEYE NAME: 1,7-difluoroheptane
CAS Name: 1,7-difluoroheptane
IUPAC NAME: 1,7-difluoroheptane
SYSTEMATIC NAME: 1,7-bis(fluoranyl)heptane
MOLECULAR FORMULA: C7H14F2
MOLECULAR WEIGHT: 136.182866
SMILES: C(CCCF)CCCF
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Product OPENEYE NAME: 7-fluoroheptanal
CAS Name: 7-fluoroheptanal
IUPAC NAME: 7-fluoroheptanal
SYSTEMATIC NAME: 7-fluoranylheptanal
MOLECULAR FORMULA: C7H13FO
MOLECULAR WEIGHT: 132.175923
SMILES: C(CCCF)CCC=O
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Product OPENEYE NAME: decan-2-one
CAS Name: 2-decanone
IUPAC NAME: decan-2-one
SYSTEMATIC NAME: decan-2-one
MOLECULAR FORMULA: C10H20O
MOLECULAR WEIGHT: 156.2652
SMILES: CCCCCCCCC(=O)C
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Product OPENEYE NAME: 1-bromononane
CAS Name: 1-bromononane
IUPAC NAME: 1-bromononane
SYSTEMATIC NAME: 1-bromanylnonane
MOLECULAR FORMULA: C9H19Br
MOLECULAR WEIGHT: 207.15116
SMILES: CCCCCCCCCBr
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Product OPENEYE NAME: 1-pentoxypentane
CAS Name: 1-pentoxypentane
IUPAC NAME: 1-pentoxypentane
SYSTEMATIC NAME: 1-pentoxypentane
MOLECULAR FORMULA: C10H22O
MOLECULAR WEIGHT: 158.28108
SMILES: CCCCCOCCCCC
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