Thursday, August 15, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-(difluoromethyl)-4-(1,3-dioxoisoindolin-2-yl)butanoic acid
CAS Name: 2-(difluoromethyl)-4-(1,3-dioxo-2-isoindolyl)butanoic acid
IUPAC NAME: 2-(difluoromethyl)-4-(1,3-dioxoisoindol-2-yl)butanoic acid
SYSTEMATIC NAME: 2-[bis(fluoranyl)methyl]-4-[1,3-bis(oxidanylidene)isoindol-2-yl]butanoic acid
MOLECULAR FORMULA: C13H11F2NO4
MOLECULAR WEIGHT: 283.227546
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(C(F)F)C(=O)O
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Product OPENEYE NAME: 1,1-difluorobutane-1,4-diamine
CAS Name: 1,1-difluorobutane-1,4-diamine
IUPAC NAME: 1,1-difluorobutane-1,4-diamine
SYSTEMATIC NAME: 1,1-bis(fluoranyl)butane-1,4-diamine
MOLECULAR FORMULA: C4H10F2N2
MOLECULAR WEIGHT: 124.132406
SMILES: C(CC(N)(F)F)CN
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Product OPENEYE NAME: N-(4-amino-1-fluoro-butyl)butanamide
CAS Name: N-(4-amino-1-fluorobutyl)butanamide
IUPAC NAME: N-(4-amino-1-fluorobutyl)butanamide
SYSTEMATIC NAME: N-(4-azanyl-1-fluoranyl-butyl)butanamide
MOLECULAR FORMULA: C8H17FN2O
MOLECULAR WEIGHT: 176.231783
SMILES: CCCC(=O)NC(CCCN)F
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Product OPENEYE NAME: 2-(difluoromethyl)hex-5-enoyl chloride
CAS Name: 2-(difluoromethyl)-5-hexenoyl chloride
IUPAC NAME: 2-(difluoromethyl)hex-5-enoyl chloride
SYSTEMATIC NAME: 2-[bis(fluoranyl)methyl]hex-5-enoyl chloride
MOLECULAR FORMULA: C7H9ClF2O
MOLECULAR WEIGHT: 182.595566
SMILES: C=CCCC(C(F)F)C(=O)Cl
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Product OPENEYE NAME: 2-[3-(benzylamino)-4,4-difluoro-butyl]isoindoline-1,3-dione
CAS Name: 2-[4,4-difluoro-3-[(phenylmethyl)amino]butyl]isoindole-1,3-dione
IUPAC NAME: 2-[3-(benzylamino)-4,4-difluorobutyl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[4,4-bis(fluoranyl)-3-[(phenylmethyl)amino]butyl]isoindole-1,3-dione
MOLECULAR FORMULA: C19H18F2N2O2
MOLECULAR WEIGHT: 344.355226
SMILES: C1=CC=C(C=C1)CNC(CCN2C(=O)C3=CC=CC=C3C2=O)C(F)F
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Product OPENEYE NAME: 2-(difluoromethyl)-2-[2-(1,3-dioxoisoindolin-2-yl)ethyl]propanedioic acid
CAS Name: 2-(difluoromethyl)-2-[2-(1,3-dioxo-2-isoindolyl)ethyl]propanedioic acid
IUPAC NAME: 2-(difluoromethyl)-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]propanedioic acid
SYSTEMATIC NAME: 2-[bis(fluoranyl)methyl]-2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]propanedioic acid
MOLECULAR FORMULA: C14H11F2NO6
MOLECULAR WEIGHT: 327.237046
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(C(F)F)(C(=O)O)C(=O)O
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Product OPENEYE NAME: 2-tert-butoxycarbonyl-2-(difluoromethyl)hex-5-enoic acid
CAS Name: 2-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-5-hexenoic acid
IUPAC NAME: 2-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]hex-5-enoic acid
SYSTEMATIC NAME: 2-[bis(fluoranyl)methyl]-2-[(2-methylpropan-2-yl)oxycarbonyl]hex-5-enoic acid
MOLECULAR FORMULA: C12H18F2O4
MOLECULAR WEIGHT: 264.265726
SMILES: CC(C)(C)OC(=O)C(CCC=C)(C(F)F)C(=O)O
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Product OPENEYE NAME: 1-[2-(hydroxymethyl)cyclopropyl]heptan-1-one
CAS Name: 1-[2-(hydroxymethyl)cyclopropyl]-1-heptanone
IUPAC NAME: 1-[2-(hydroxymethyl)cyclopropyl]heptan-1-one
SYSTEMATIC NAME: 1-[2-(hydroxymethyl)cyclopropyl]heptan-1-one
MOLECULAR FORMULA: C11H20O2
MOLECULAR WEIGHT: 184.2753
SMILES: CCCCCCC(=O)C1CC1CO
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Product OPENEYE NAME: zinc boron(1-) heptahydrate
CAS Name: zinc boron(1-) heptahydrate
IUPAC NAME: zinc boron(1-) heptahydrate
SYSTEMATIC NAME: zinc boron(1-) heptahydrate
MOLECULAR FORMULA: BH14O7Zn+
MOLECULAR WEIGHT: 202.32696
SMILES: [B-].O.O.O.O.O.O.O.[Zn+2]
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Product OPENEYE NAME: 2-[[2-(diethylamino)-2-thioxo-ethanethioyl]-(2-octanoyloxyethyl)amino]ethyl octanoate
CAS Name: octanoic acid 2-[[2-(diethylamino)-1,2-bis(sulfanylidene)ethyl]-[2-(1-oxooctoxy)ethyl]amino]ethyl ester
IUPAC NAME: 2-[[2-(diethylamino)-2-sulfanylideneethanethioyl]-(2-octanoyloxyethyl)amino]ethyl octanoate
SYSTEMATIC NAME: 2-[[2-(diethylamino)-2-sulfanylidene-ethanethioyl]-(2-octanoyloxyethyl)amino]ethyl octanoate
MOLECULAR FORMULA: C26H48N2O4S2
MOLECULAR WEIGHT: 516.80032
SMILES: CCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCC)C(=S)C(=S)N(CC)CC
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Product OPENEYE NAME: [1,4-bis(tert-butylperoxy)-4-cyclohexyl-1-methyl-pentyl]cyclohexane
CAS Name: [2,5-bis(tert-butyldioxy)-5-cyclohexylhexan-2-yl]cyclohexane
IUPAC NAME: [2,5-bis(tert-butylperoxy)-5-cyclohexylhexan-2-yl]cyclohexane
SYSTEMATIC NAME: [2,5-bis(tert-butylperoxy)-5-cyclohexyl-hexan-2-yl]cyclohexane
MOLECULAR FORMULA: C26H50O4
MOLECULAR WEIGHT: 426.6728
SMILES: CC(C)(C)OOC(C)(CCC(C)(C1CCCCC1)OOC(C)(C)C)C2CCCCC2
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Product OPENEYE NAME: 3-butylperoxy-2-methyl-propanoate
CAS Name: 3-butyldioxy-2-methylpropanoate
IUPAC NAME: 3-butylperoxy-2-methylpropanoate
SYSTEMATIC NAME: 3-butylperoxy-2-methyl-propanoate
MOLECULAR FORMULA: C8H15O4-
MOLECULAR WEIGHT: 175.2023
SMILES: CCCCOOCC(C)C(=O)[O-]
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Product OPENEYE NAME: 3-butylperoxy-2-methyl-propanoic acid
CAS Name: 3-butyldioxy-2-methylpropanoic acid
IUPAC NAME: 3-butylperoxy-2-methylpropanoic acid
SYSTEMATIC NAME: 3-butylperoxy-2-methyl-propanoic acid
MOLECULAR FORMULA: C8H16O4
MOLECULAR WEIGHT: 176.21024
SMILES: CCCCOOCC(C)C(=O)O
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Product OPENEYE NAME: sodium 1-prop-2-enoyloxypropane-1-sulfonic acid
CAS Name: sodium 1-(1-oxoprop-2-enoxy)-1-propanesulfonic acid
IUPAC NAME: sodium 1-prop-2-enoyloxypropane-1-sulfonic acid
SYSTEMATIC NAME: sodium 1-prop-2-enoyloxypropane-1-sulfonic acid
MOLECULAR FORMULA: C6H9NaO5S
MOLECULAR WEIGHT: 216.18743
SMILES: [CH2-]CC(OC(=O)C=C)S(=O)(=O)O.[Na+]
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Product OPENEYE NAME: 1-prop-2-enoyloxypropane-1-sulfonic acid
CAS Name: 1-(1-oxoprop-2-enoxy)-1-propanesulfonic acid
IUPAC NAME: 1-prop-2-enoyloxypropane-1-sulfonic acid
SYSTEMATIC NAME: 1-prop-2-enoyloxypropane-1-sulfonic acid
MOLECULAR FORMULA: C6H10O5S
MOLECULAR WEIGHT: 194.2056
SMILES: CCC(OC(=O)C=C)S(=O)(=O)O
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