Thursday, August 4, 2011

All Chemical Compounds Information




Product OPENEYE NAME: tetrakis(hydroxymethyl)phosphonium hydroxide
CAS Name: tetrakis(hydroxymethyl)phosphonium hydroxide
IUPAC NAME: tetrakis(hydroxymethyl)phosphanium hydroxide
SYSTEMATIC NAME: tetrakis(hydroxymethyl)phosphanium hydroxide
MOLECULAR FORMULA: C4H13O5P
MOLECULAR WEIGHT: 172.116781
SMILES: C(O)[P+](CO)(CO)CO.[OH-]
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Product OPENEYE NAME: tetrakis(hydroxymethyl)phosphonium
CAS Name: tetrakis(hydroxymethyl)phosphonium
IUPAC NAME: tetrakis(hydroxymethyl)phosphanium
SYSTEMATIC NAME: tetrakis(hydroxymethyl)phosphanium
MOLECULAR FORMULA: C4H12O4P+
MOLECULAR WEIGHT: 155.109441
SMILES: C(O)[P+](CO)(CO)CO
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Product OPENEYE NAME: 4-isopropyl-1-methyl-2,3-dioxabicyclo[2.2.2]oct-5-ene
CAS Name: 1-methyl-4-propan-2-yl-2,3-dioxabicyclo[2.2.2]oct-5-ene
IUPAC NAME: 1-methyl-4-propan-2-yl-2,3-dioxabicyclo[2.2.2]oct-5-ene
SYSTEMATIC NAME: 1-methyl-4-propan-2-yl-2,3-dioxabicyclo[2.2.2]oct-5-ene
MOLECULAR FORMULA: C10H16O2
MOLECULAR WEIGHT: 168.23284
SMILES: CC(C)C12CCC(C=C1)(OO2)C
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Product OPENEYE NAME: tripropyl phosphate
CAS Name: phosphoric acid tripropyl ester
IUPAC NAME: tripropyl phosphate
SYSTEMATIC NAME: tripropyl phosphate
MOLECULAR FORMULA: C9H21O4P
MOLECULAR WEIGHT: 224.234401
SMILES: CCCOP(=O)(OCCC)OCCC
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Product OPENEYE NAME: 2-diethoxyphosphorylsulfanylethyl(trimethyl)ammonium iodide
CAS Name: 2-(diethoxyphosphorylthio)ethyl-trimethylammonium iodide
IUPAC NAME: 2-diethoxyphosphorylsulfanylethyl(trimethyl)azanium iodide
SYSTEMATIC NAME: 2-diethoxyphosphorylsulfanylethyl(trimethyl)azanium iodide
MOLECULAR FORMULA: C9H23INO3PS
MOLECULAR WEIGHT: 383.227051
SMILES: CCOP(=O)(OCC)SCC[N+](C)(C)C.[I-]
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Product OPENEYE NAME: 2-diethoxyphosphorylsulfanylethyl(trimethyl)ammonium
CAS Name: 2-(diethoxyphosphorylthio)ethyl-trimethylammonium
IUPAC NAME: 2-diethoxyphosphorylsulfanylethyl(trimethyl)azanium
SYSTEMATIC NAME: 2-diethoxyphosphorylsulfanylethyl(trimethyl)azanium
MOLECULAR FORMULA: C9H23NO3PS+
MOLECULAR WEIGHT: 256.322581
SMILES: CCOP(=O)(OCC)SCC[N+](C)(C)C
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Product OPENEYE NAME: 2-ethylsulfonylethanol
CAS Name: 2-ethylsulfonylethanol
IUPAC NAME: 2-ethylsulfonylethanol
SYSTEMATIC NAME: 2-ethylsulfonylethanol
MOLECULAR FORMULA: C4H10O3S
MOLECULAR WEIGHT: 138.1854
SMILES: CCS(=O)(=O)CCO
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Product OPENEYE NAME: 5-isopropyl-2-methyl-bicyclo[3.1.0]hexan-3-ol
CAS Name: 2-methyl-5-propan-2-yl-3-bicyclo[3.1.0]hexanol
IUPAC NAME: 2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-3-ol
SYSTEMATIC NAME: 2-methyl-5-propan-2-yl-bicyclo[3.1.0]hexan-3-ol
MOLECULAR FORMULA: C10H18O
MOLECULAR WEIGHT: 154.24932
SMILES: CC1C2CC2(CC1O)C(C)C
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Product OPENEYE NAME: 2-aminoacetic acid; sulfuric acid
CAS Name: 2-aminoacetic acid; sulfuric acid
IUPAC NAME: 2-aminoacetic acid; sulfuric acid
SYSTEMATIC NAME: 2-azanylethanoic acid; sulfuric acid
MOLECULAR FORMULA: C6H17N3O10S
MOLECULAR WEIGHT: 323.27828
SMILES: C(C(=O)O)N.C(C(=O)O)N.C(C(=O)O)N.OS(=O)(=O)O
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Product OPENEYE NAME: 2,3-dibromoprop-1-ene
CAS Name: 2,3-dibromo-1-propene
IUPAC NAME: 2,3-dibromoprop-1-ene
SYSTEMATIC NAME: 2,3-bis(bromanyl)prop-1-ene
MOLECULAR FORMULA: C3H4Br2
MOLECULAR WEIGHT: 199.87186
SMILES: C=C(CBr)Br
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Product OPENEYE NAME: 2-methylbut-2-ene
CAS Name: 2-methyl-2-butene
IUPAC NAME: 2-methylbut-2-ene
SYSTEMATIC NAME: 2-methylbut-2-ene
MOLECULAR FORMULA: C5H10
MOLECULAR WEIGHT: 70.1329
SMILES: CC=C(C)C
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Product OPENEYE NAME: 1-chloro-2-methyl-propane
CAS Name: 1-chloro-2-methylpropane
IUPAC NAME: 1-chloro-2-methylpropane
SYSTEMATIC NAME: 1-chloranyl-2-methyl-propane
MOLECULAR FORMULA: C4H9Cl
MOLECULAR WEIGHT: 92.56726
SMILES: CC(C)CCl
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Product OPENEYE NAME: 1-chloro-2-methyl-prop-1-ene
CAS Name: 1-chloro-2-methyl-1-propene
IUPAC NAME: 1-chloro-2-methylprop-1-ene
SYSTEMATIC NAME: 1-chloranyl-2-methyl-prop-1-ene
MOLECULAR FORMULA: C4H7Cl
MOLECULAR WEIGHT: 90.55138
SMILES: CC(=CCl)C
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Product OPENEYE NAME: 1-iodo-2-methyl-propane
CAS Name: 1-iodo-2-methylpropane
IUPAC NAME: 1-iodo-2-methylpropane
SYSTEMATIC NAME: 1-iodanyl-2-methyl-propane
MOLECULAR FORMULA: C4H9I
MOLECULAR WEIGHT: 184.01873
SMILES: CC(C)CI
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Product OPENEYE NAME: 2-methylprop-2-en-1-ol
CAS Name: 2-methyl-2-propen-1-ol
IUPAC NAME: 2-methylprop-2-en-1-ol
SYSTEMATIC NAME: 2-methylprop-2-en-1-ol
MOLECULAR FORMULA: C4H8O
MOLECULAR WEIGHT: 72.10572
SMILES: CC(=C)CO
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Product OPENEYE NAME: 2-methylpropane-1-thiol
CAS Name: 2-methyl-1-propanethiol
IUPAC NAME: 2-methylpropane-1-thiol
SYSTEMATIC NAME: 2-methylpropane-1-thiol
MOLECULAR FORMULA: C4H10S
MOLECULAR WEIGHT: 90.1872
SMILES: CC(C)CS
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Product OPENEYE NAME: 2-iodobutane
CAS Name: 2-iodobutane
IUPAC NAME: 2-iodobutane
SYSTEMATIC NAME: 2-iodanylbutane
MOLECULAR FORMULA: C4H9I
MOLECULAR WEIGHT: 184.01873
SMILES: CCC(C)I
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Product OPENEYE NAME: butane-2-thiol
CAS Name: 2-butanethiol
IUPAC NAME: butane-2-thiol
SYSTEMATIC NAME: butane-2-thiol
MOLECULAR FORMULA: C4H10S
MOLECULAR WEIGHT: 90.1872
SMILES: CCC(C)S
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Product OPENEYE NAME: barium(2+) carbonate
CAS Name: barium(2+) carbonate
IUPAC NAME: barium(2+) carbonate
SYSTEMATIC NAME: barium(2+) carbonate
MOLECULAR FORMULA: CBaO3
MOLECULAR WEIGHT: 197.3359
SMILES: C(=O)([O-])[O-].[Ba+2]
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Product OPENEYE NAME: cadmium(2+) carbonate
CAS Name: cadmium(2+) carbonate
IUPAC NAME: cadmium(2+) carbonate
SYSTEMATIC NAME: cadmium(2+) carbonate
MOLECULAR FORMULA: CCdO3
MOLECULAR WEIGHT: 172.4199
SMILES: C(=O)([O-])[O-].[Cd+2]
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Product OPENEYE NAME: cobaltous carbonate
CAS Name: cobalt(2+) carbonate
IUPAC NAME: cobalt(2+) carbonate
SYSTEMATIC NAME: cobalt(2+) carbonate
MOLECULAR FORMULA: CCoO3
MOLECULAR WEIGHT: 118.9421
SMILES: C(=O)([O-])[O-].[Co+2]
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