Friday, September 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: (2-isopropyl-5-methyl-cyclohexoxy)-dimethoxy-methyl-silane
CAS Name: dimethoxy-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxysilane
IUPAC NAME: dimethoxy-methyl-(5-methyl-2-propan-2-ylcyclohexyl)oxysilane
SYSTEMATIC NAME: dimethoxy-methyl-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-silane
MOLECULAR FORMULA: C13H28O3Si
MOLECULAR WEIGHT: 260.44512
SMILES: CC1CCC(C(C1)O[Si](C)(OC)OC)C(C)C
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Product OPENEYE NAME: 2-methoxy-3-[(E)-4-(6-methoxycyclohexa-1,5-dien-1-yl)oxybut-2-enoxy]cyclohexa-1,3-diene
CAS Name: 2-methoxy-3-[(E)-4-[(6-methoxy-1-cyclohexa-1,5-dienyl)oxy]but-2-enoxy]cyclohexa-1,3-diene
IUPAC NAME: 2-methoxy-3-[(E)-4-(6-methoxycyclohexa-1,5-dien-1-yl)oxybut-2-enoxy]cyclohexa-1,3-diene
SYSTEMATIC NAME: 2-methoxy-3-[(E)-4-(6-methoxycyclohexa-1,5-dien-1-yl)oxybut-2-enoxy]cyclohexa-1,3-diene
MOLECULAR FORMULA: C18H24O4
MOLECULAR WEIGHT: 304.38076
SMILES: COC1=CCCC=C1OC/C=C/COC2=CCCC=C2OC
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Product OPENEYE NAME: 4-methyleneisothiazole
CAS Name: 4-methyleneisothiazole
IUPAC NAME: 4-methylidene-1,2-thiazole
SYSTEMATIC NAME: 4-methylidene-1,2-thiazole
MOLECULAR FORMULA: C4H5NS
MOLECULAR WEIGHT: 99.1542
SMILES: C=C1CSN=C1
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Product OPENEYE NAME: 2-(1H-benzimidazol-2-yl)prop-2-enoate
CAS Name: 2-(1H-benzimidazol-2-yl)-2-propenoate
IUPAC NAME: 2-(1H-benzimidazol-2-yl)prop-2-enoate
SYSTEMATIC NAME: 2-(1H-benzimidazol-2-yl)prop-2-enoate
MOLECULAR FORMULA: C10H7N2O2-
MOLECULAR WEIGHT: 187.17478
SMILES: C=C(C1=NC2=CC=CC=C2N1)C(=O)[O-]
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Product OPENEYE NAME: 2-(1H-benzimidazol-2-yl)prop-2-enoic acid
CAS Name: 2-(1H-benzimidazol-2-yl)-2-propenoic acid
IUPAC NAME: 2-(1H-benzimidazol-2-yl)prop-2-enoic acid
SYSTEMATIC NAME: 2-(1H-benzimidazol-2-yl)prop-2-enoic acid
MOLECULAR FORMULA: C10H8N2O2
MOLECULAR WEIGHT: 188.18272
SMILES: C=C(C1=NC2=CC=CC=C2N1)C(=O)O
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Product OPENEYE NAME: 2-methylsulfonylprop-2-enenitrile
CAS Name: 2-methylsulfonyl-2-propenenitrile
IUPAC NAME: 2-methylsulfonylprop-2-enenitrile
SYSTEMATIC NAME: 2-methylsulfonylprop-2-enenitrile
MOLECULAR FORMULA: C4H5NO2S
MOLECULAR WEIGHT: 131.153
SMILES: CS(=O)(=O)C(=C)C#N
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Product OPENEYE NAME: 2-[2-(2-formylphenoxy)-3-hydroxy-propoxy]benzaldehyde
CAS Name: 2-[2-(2-formylphenoxy)-3-hydroxypropoxy]benzaldehyde
IUPAC NAME: 2-[2-(2-formylphenoxy)-3-hydroxypropoxy]benzaldehyde
SYSTEMATIC NAME: 2-[2-(2-methanoylphenoxy)-3-oxidanyl-propoxy]benzaldehyde
MOLECULAR FORMULA: C17H16O5
MOLECULAR WEIGHT: 300.30594
SMILES: C1=CC=C(C(=C1)C=O)OCC(CO)OC2=CC=CC=C2C=O
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Product OPENEYE NAME: 2-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-one
CAS Name: 2-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-one
IUPAC NAME: 2-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-one
SYSTEMATIC NAME: 2-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-one
MOLECULAR FORMULA: C10H10ClN3O
MOLECULAR WEIGHT: 223.6589
SMILES: CCN1C=NN(C1=O)C2=CC=CC=C2Cl
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Product OPENEYE NAME: 3-(4-chlorophenyl)-4-ethyl-1,5-dihydro-1,2,4-triazole
CAS Name: 3-(4-chlorophenyl)-4-ethyl-1,5-dihydro-1,2,4-triazole
IUPAC NAME: 3-(4-chlorophenyl)-4-ethyl-1,5-dihydro-1,2,4-triazole
SYSTEMATIC NAME: 3-(4-chlorophenyl)-4-ethyl-1,5-dihydro-1,2,4-triazole
MOLECULAR FORMULA: C10H12ClN3
MOLECULAR WEIGHT: 209.67538
SMILES: CCN1CNN=C1C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: 4-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)pyridine
CAS Name: 4-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)pyridine
IUPAC NAME: 4-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)pyridine
SYSTEMATIC NAME: 4-(4-methyl-1,5-dihydro-1,2,4-triazol-3-yl)pyridine
MOLECULAR FORMULA: C8H10N4
MOLECULAR WEIGHT: 162.1918
SMILES: CN1CNN=C1C2=CC=NC=C2
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Product OPENEYE NAME: platinum(2+); pyrrolidine
CAS Name: platinum(2+); pyrrolidine
IUPAC NAME: platinum(2+); pyrrolidine
SYSTEMATIC NAME: platinum(2+); pyrrolidine
MOLECULAR FORMULA: C4H9NPt+2
MOLECULAR WEIGHT: 266.19896
SMILES: C1CCNC1.[Pt+2]
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Product OPENEYE NAME: O3-methyl O5-propyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; 3-(2-tetrahydropyran-2-yloxyethyl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-propyl ester; 3-[2-(2-oxanyloxy)ethyl]-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
IUPAC NAME: 3-O-methyl 5-O-propyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; 3-[2-(oxan-2-yloxy)ethyl]-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
SYSTEMATIC NAME: O3-methyl O5-propyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; 3-[2-(oxan-2-yloxy)ethyl]-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
MOLECULAR FORMULA: C32H38N2O9
MOLECULAR WEIGHT: 594.65212
SMILES: CCCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C.C1CCOC(C1)OCCC2=C3C=CC(=C2)O3
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Product OPENEYE NAME: 3-(2-tetrahydropyran-2-yloxyethyl)-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CAS Name: 3-[2-(2-oxanyloxy)ethyl]-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
IUPAC NAME: 3-[2-(oxan-2-yloxy)ethyl]-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
SYSTEMATIC NAME: 3-[2-(oxan-2-yloxy)ethyl]-7-oxabicyclo[2.2.1]hepta-1,3,5-triene
MOLECULAR FORMULA: C13H16O3
MOLECULAR WEIGHT: 220.26434
SMILES: C1CCOC(C1)OCCC2=C3C=CC(=C2)O3
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Product OPENEYE NAME: 2-[benzyl(methyl)amino]ethyl 6-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
CAS Name: 6-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-[methyl-(phenylmethyl)amino]ethyl ester
IUPAC NAME: 2-[benzyl(methyl)amino]ethyl 6-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
SYSTEMATIC NAME: 2-[methyl-(phenylmethyl)amino]ethyl 6-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
MOLECULAR FORMULA: C22H23N3O4
MOLECULAR WEIGHT: 393.43572
SMILES: CN(CCOC(=O)C1=CNC(=CC1)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC=C3
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Product OPENEYE NAME: 6-(1,3,2-benzodioxazol-4-yl)-1,4-dihydropyridine-3-carboxylic acid
CAS Name: 6-(1,3,2-benzodioxazol-4-yl)-1,4-dihydropyridine-3-carboxylic acid
IUPAC NAME: 6-(1,3,2-benzodioxazol-4-yl)-1,4-dihydropyridine-3-carboxylic acid
SYSTEMATIC NAME: 6-(1,3,2-benzodioxazol-4-yl)-1,4-dihydropyridine-3-carboxylic acid
MOLECULAR FORMULA: C12H10N2O4
MOLECULAR WEIGHT: 246.2188
SMILES: C1C=C(NC=C1C(=O)O)C2=C3C(=CC=C2)ONO3
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Product OPENEYE NAME: 1-(3-nitrophenyl)-4H-pyridine-3-carboxylic acid
CAS Name: 1-(3-nitrophenyl)-4H-pyridine-3-carboxylic acid
IUPAC NAME: 1-(3-nitrophenyl)-4H-pyridine-3-carboxylic acid
SYSTEMATIC NAME: 1-(3-nitrophenyl)-4H-pyridine-3-carboxylic acid
MOLECULAR FORMULA: C12H10N2O4
MOLECULAR WEIGHT: 246.2188
SMILES: C1C=CN(C=C1C(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]
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Product OPENEYE NAME: O5-[2-[4-(2,3-dihydroxypropoxy)phenyl]ethyl] O3-methyl 2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
CAS Name: 2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[2-[4-(2,3-dihydroxypropoxy)phenyl]ethyl] ester O3-methyl ester
IUPAC NAME: 5-O-[2-[4-(2,3-dihydroxypropoxy)phenyl]ethyl] 3-O-methyl 2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: O5-[2-[4-[2,3-bis(oxidanyl)propoxy]phenyl]ethyl] O3-methyl 2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C26H28N2O9
MOLECULAR WEIGHT: 512.50852
SMILES: CC1=C(C(C(=CN1)C(=O)OCCC2=CC=C(C=C2)OCC(CO)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
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Product OPENEYE NAME: 3-bromopropyl 1-(3-nitrophenyl)-4H-pyridine-3-carboxylate
CAS Name: 1-(3-nitrophenyl)-4H-pyridine-3-carboxylic acid 3-bromopropyl ester
IUPAC NAME: 3-bromopropyl 1-(3-nitrophenyl)-4H-pyridine-3-carboxylate
SYSTEMATIC NAME: 3-bromanylpropyl 1-(3-nitrophenyl)-4H-pyridine-3-carboxylate
MOLECULAR FORMULA: C15H15BrN2O4
MOLECULAR WEIGHT: 367.1946
SMILES: C1C=CN(C=C1C(=O)OCCCBr)C2=CC(=CC=C2)[N+](=O)[O-]
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Product OPENEYE NAME: 4-aminophenol; ethane
CAS Name: 4-aminophenol; ethane
IUPAC NAME: 4-aminophenol; ethane
SYSTEMATIC NAME: 4-azanylphenol; ethane
MOLECULAR FORMULA: C8H13NO
MOLECULAR WEIGHT: 139.19492
SMILES: CC.C1=CC(=CC=C1N)O
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