Thursday, August 11, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 3,3-dimethylbut-1-yne
CAS Name: 3,3-dimethyl-1-butyne
IUPAC NAME: 3,3-dimethylbut-1-yne
SYSTEMATIC NAME: 3,3-dimethylbut-1-yne
MOLECULAR FORMULA: C6H10
MOLECULAR WEIGHT: 82.1436
SMILES: CC(C)(C)C#C
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Product OPENEYE NAME: 2-chloro-2-methyl-propanal
CAS Name: 2-chloro-2-methylpropanal
IUPAC NAME: 2-chloro-2-methylpropanal
SYSTEMATIC NAME: 2-chloranyl-2-methyl-propanal
MOLECULAR FORMULA: C4H7ClO
MOLECULAR WEIGHT: 106.55078
SMILES: CC(C)(C=O)Cl
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Product OPENEYE NAME: 1,1,1-trichloropropan-2-one
CAS Name: 1,1,1-trichloro-2-propanone
IUPAC NAME: 1,1,1-trichloropropan-2-one
SYSTEMATIC NAME: 1,1,1-tris(chloranyl)propan-2-one
MOLECULAR FORMULA: C3H3Cl3O
MOLECULAR WEIGHT: 161.41432
SMILES: CC(=O)C(Cl)(Cl)Cl
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Product OPENEYE NAME: 1-hydroxyethanesulfonic acid
CAS Name: 1-hydroxyethanesulfonic acid
IUPAC NAME: 1-hydroxyethanesulfonic acid
SYSTEMATIC NAME: 1-oxidanylethanesulfonic acid
MOLECULAR FORMULA: C2H6O4S
MOLECULAR WEIGHT: 126.13164
SMILES: CC(O)S(=O)(=O)O
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Product OPENEYE NAME: 2-chloro-1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propane
CAS Name: 2-chloro-1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propane
IUPAC NAME: 2-chloro-1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propane
SYSTEMATIC NAME: 2-chloranyl-1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propane
MOLECULAR FORMULA: C4H9Cl
MOLECULAR WEIGHT: 101.622716
SMILES: [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])Cl
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Product OPENEYE NAME: 1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diol
CAS Name: 1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diol
IUPAC NAME: 1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diol
SYSTEMATIC NAME: 1,1,1,4,4,4-hexakis(fluoranyl)-2,3-bis(trifluoromethyl)butane-2,3-diol
MOLECULAR FORMULA: C6H2F12O2
MOLECULAR WEIGHT: 334.059718
SMILES: C(C(C(F)(F)F)(C(F)(F)F)O)(C(F)(F)F)(C(F)(F)F)O
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Product OPENEYE NAME: 3-methylpent-1-en-3-ol
CAS Name: 3-methyl-1-penten-3-ol
IUPAC NAME: 3-methylpent-1-en-3-ol
SYSTEMATIC NAME: 3-methylpent-1-en-3-ol
MOLECULAR FORMULA: C6H12O
MOLECULAR WEIGHT: 100.15888
SMILES: CCC(C)(C=C)O
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Product OPENEYE NAME: trilithium citrate
CAS Name: trilithium 2-hydroxypropane-1,2,3-tricarboxylate
IUPAC NAME: trilithium 2-hydroxypropane-1,2,3-tricarboxylate
SYSTEMATIC NAME: trilithium 2-oxidanylpropane-1,2,3-tricarboxylate
MOLECULAR FORMULA: C6H5Li3O7
MOLECULAR WEIGHT: 209.9227
SMILES: [Li+].[Li+].[Li+].C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
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Product OPENEYE NAME: 3-triethoxysilylpropan-1-amine
CAS Name: 3-triethoxysilyl-1-propanamine
IUPAC NAME: 3-triethoxysilylpropan-1-amine
SYSTEMATIC NAME: 3-triethoxysilylpropan-1-amine
MOLECULAR FORMULA: C9H23NO3Si
MOLECULAR WEIGHT: 221.36932
SMILES: CCO[Si](CCCN)(OCC)OCC
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Product OPENEYE NAME: 3-triethoxysilylpropanenitrile
CAS Name: 3-triethoxysilylpropanenitrile
IUPAC NAME: 3-triethoxysilylpropanenitrile
SYSTEMATIC NAME: 3-triethoxysilylpropanenitrile
MOLECULAR FORMULA: C9H19NO3Si
MOLECULAR WEIGHT: 217.33756
SMILES: CCO[Si](CCC#N)(OCC)OCC
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Product OPENEYE NAME: methyl 2-diethoxyphosphinothioylsulfanylacetate
CAS Name: 2-(diethoxyphosphinothioylthio)acetic acid methyl ester
IUPAC NAME: methyl 2-diethoxyphosphinothioylsulfanylacetate
SYSTEMATIC NAME: methyl 2-diethoxyphosphinothioylsulfanylethanoate
MOLECULAR FORMULA: C7H15O4PS2
MOLECULAR WEIGHT: 258.295361
SMILES: CCOP(=S)(OCC)SCC(=O)OC
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Product OPENEYE NAME: ethyl 2-diethoxyphosphinothioylsulfanylacetate
CAS Name: 2-(diethoxyphosphinothioylthio)acetic acid ethyl ester
IUPAC NAME: ethyl 2-diethoxyphosphinothioylsulfanylacetate
SYSTEMATIC NAME: ethyl 2-diethoxyphosphinothioylsulfanylethanoate
MOLECULAR FORMULA: C8H17O4PS2
MOLECULAR WEIGHT: 272.321941
SMILES: CCOC(=O)CSP(=S)(OCC)OCC
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Product OPENEYE NAME: 2-dimethoxyphosphinothioylsulfanyl-N-(2-methoxyethyl)acetamide
CAS Name: 2-(dimethoxyphosphinothioylthio)-N-(2-methoxyethyl)acetamide
IUPAC NAME: 2-dimethoxyphosphinothioylsulfanyl-N-(2-methoxyethyl)acetamide
SYSTEMATIC NAME: 2-dimethoxyphosphinothioylsulfanyl-N-(2-methoxyethyl)ethanamide
MOLECULAR FORMULA: C7H16NO4PS2
MOLECULAR WEIGHT: 273.310001
SMILES: COCCNC(=O)CSP(=S)(OC)OC
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Product OPENEYE NAME: 1-dimethoxyphosphorylsulfanyl-2-ethylsulfanyl-ethane
CAS Name: 1-(dimethoxyphosphorylthio)-2-(ethylthio)ethane
IUPAC NAME: 1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane
SYSTEMATIC NAME: 1-dimethoxyphosphorylsulfanyl-2-ethylsulfanyl-ethane
MOLECULAR FORMULA: C6H15O3PS2
MOLECULAR WEIGHT: 230.285261
SMILES: CCSCCSP(=O)(OC)OC
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Product OPENEYE NAME: 2-ethoxy-2-methyl-butane
CAS Name: 2-ethoxy-2-methylbutane
IUPAC NAME: 2-ethoxy-2-methylbutane
SYSTEMATIC NAME: 2-ethoxy-2-methyl-butane
MOLECULAR FORMULA: C7H16O
MOLECULAR WEIGHT: 116.20134
SMILES: CCC(C)(C)OCC
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Product OPENEYE NAME: 2-methylprop-2-enoyl chloride
CAS Name: 2-methyl-2-propenoyl chloride
IUPAC NAME: 2-methylprop-2-enoyl chloride
SYSTEMATIC NAME: 2-methylprop-2-enoyl chloride
MOLECULAR FORMULA: C4H5ClO
MOLECULAR WEIGHT: 104.5349
SMILES: CC(=C)C(=O)Cl
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Product OPENEYE NAME: 1,1,1,3,3,3-hexafluoropropan-2-ol
CAS Name: 1,1,1,3,3,3-hexafluoro-2-propanol
IUPAC NAME: 1,1,1,3,3,3-hexafluoropropan-2-ol
SYSTEMATIC NAME: 1,1,1,3,3,3-hexakis(fluoranyl)propan-2-ol
MOLECULAR FORMULA: C3H2F6O
MOLECULAR WEIGHT: 168.037799
SMILES: C(C(F)(F)F)(C(F)(F)F)O
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Product OPENEYE NAME: 1,1,3-trichloropropan-2-one
CAS Name: 1,1,3-trichloro-2-propanone
IUPAC NAME: 1,1,3-trichloropropan-2-one
SYSTEMATIC NAME: 1,1,3-tris(chloranyl)propan-2-one
MOLECULAR FORMULA: C3H3Cl3O
MOLECULAR WEIGHT: 161.41432
SMILES: C(C(=O)C(Cl)Cl)Cl
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Product OPENEYE NAME: 1,1,2,3-tetrachlorobuta-1,3-diene
CAS Name: 1,1,2,3-tetrachlorobuta-1,3-diene
IUPAC NAME: 1,1,2,3-tetrachlorobuta-1,3-diene
SYSTEMATIC NAME: 1,1,2,3-tetrakis(chloranyl)buta-1,3-diene
MOLECULAR FORMULA: C4H2Cl4
MOLECULAR WEIGHT: 191.87068
SMILES: C=C(C(=C(Cl)Cl)Cl)Cl
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