Wednesday, March 28, 2012

http://ChemLookup.com Compounds




CAS RN: 3704-40-3
CAS Name: 2,5-diphenylthiazole
OPENEYE Name: 2,5-diphenylthiazole
IUPAC Name: 2,5-diphenyl-1,3-thiazole
SYSTEMATIC NAME: 2,5-diphenyl-1,3-thiazole
MOLECULAR FORMULA: C15H11NS
MOLECULAR WEIGHT: 237.31954
SMILES: C1=CC=C(C=C1)C2=CN=C(S2)C3=CC=CC=C3
Structure:

CAS RN: 3698-35-9
CAS Name: 1,3-dimethoxy-2-prop-2-enylbenzene
OPENEYE Name: 2-allyl-1,3-dimethoxy-benzene
IUPAC Name: 1,3-dimethoxy-2-prop-2-enylbenzene
SYSTEMATIC NAME: 1,3-dimethoxy-2-prop-2-enyl-benzene
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: COC1=C(C(=CC=C1)OC)CC=C
Structure:

CAS RN: 3692-61-3
CAS Name: 3-hydroxy-N-(2-hydroxyethyl)-4-(4-morpholinylmethyl)-2-naphthalenecarboxamide hydrochloride
OPENEYE Name: 3-hydroxy-N-(2-hydroxyethyl)-4-(morpholinomethyl)naphthalene-2-carboxamide hydrochloride
IUPAC Name: 3-hydroxy-N-(2-hydroxyethyl)-4-(morpholin-4-ylmethyl)naphthalene-2-carboxamide hydrochloride
SYSTEMATIC NAME: N-(2-hydroxyethyl)-4-(morpholin-4-ylmethyl)-3-oxidanyl-naphthalene-2-carboxamide hydrochloride
MOLECULAR FORMULA: C18H23ClN2O4
MOLECULAR WEIGHT: 366.83922
SMILES: C1COCCN1CC2=C(C(=CC3=CC=CC=C32)C(=O)NCCO)O.Cl
Structure:

CAS RN: 3687-15-8
CAS Name: 2-hydroxy-1-oxopropane-1,2,3-tricarboxylic acid
OPENEYE Name: 2-hydroxy-1-oxo-propane-1,2,3-tricarboxylic acid
IUPAC Name: 2-hydroxy-1-oxopropane-1,2,3-tricarboxylic acid
SYSTEMATIC NAME: 2-oxidanyl-1-oxidanylidene-propane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C6H6O8
MOLECULAR WEIGHT: 206.10704
SMILES: C(C(=O)O)C(C(=O)C(=O)O)(C(=O)O)O
Structure:

CAS RN: 3680-28-2
CAS Name: 7-methyl-1,3-dihydroindol-2-one
OPENEYE Name: 7-methylindolin-2-one
IUPAC Name: 7-methyl-1,3-dihydroindol-2-one
SYSTEMATIC NAME: 7-methyl-1,3-dihydroindol-2-one
MOLECULAR FORMULA: C9H9NO
MOLECULAR WEIGHT: 147.17386
SMILES: CC1=CC=CC2=C1NC(=O)C2
Structure:

CAS RN: 3674-54-2
CAS Name: tetrabutylammonium thiocyanate
OPENEYE Name: tetrabutylammonium thiocyanate
IUPAC Name: tetrabutylazanium thiocyanate
SYSTEMATIC NAME: tetrabutylazanium thiocyanate
MOLECULAR FORMULA: C17H36N2S
MOLECULAR WEIGHT: 300.54614
SMILES: CCCC[N+](CCCC)(CCCC)CCCC.C(#N)[S-]
Structure:

CAS RN: 3618-37-9
CAS Name: 2-methylenehexanoic acid ethyl ester
OPENEYE Name: ethyl 2-methylenehexanoate
IUPAC Name: ethyl 2-methylidenehexanoate
SYSTEMATIC NAME: ethyl 2-methylidenehexanoate
MOLECULAR FORMULA: C9H16O2
MOLECULAR WEIGHT: 156.22214
SMILES: CCCCC(=C)C(=O)OCC
Structure:

CAS RN: 3598-29-6
CAS Name: 4-(4-hydroxyphenyl)benzene-1,2-diol
OPENEYE Name: 4-(4-hydroxyphenyl)benzene-1,2-diol
IUPAC Name: 4-(4-hydroxyphenyl)benzene-1,2-diol
SYSTEMATIC NAME: 4-(4-hydroxyphenyl)benzene-1,2-diol
MOLECULAR FORMULA: C12H10O3
MOLECULAR WEIGHT: 202.206
SMILES: C1=CC(=CC=C1C2=CC(=C(C=C2)O)O)O
Structure:

CAS RN: 3597-26-0
CAS Name: piperazine; sulfuric acid
OPENEYE Name: piperazine; sulfuric acid
IUPAC Name: piperazine; sulfuric acid
SYSTEMATIC NAME: piperazine; sulfuric acid
MOLECULAR FORMULA: C4H12N2O4S
MOLECULAR WEIGHT: 184.21408
SMILES: C1CNCCN1.OS(=O)(=O)O
Structure:

CAS RN: 3572-87-0
CAS Name: 4,6-bis(methoxyamino)-5,6-dihydro-1H-pyrimidin-2-one
OPENEYE Name: 4,6-bis(methoxyamino)-5,6-dihydro-1H-pyrimidin-2-one
IUPAC Name: 4,6-bis(methoxyamino)-5,6-dihydro-1H-pyrimidin-2-one
SYSTEMATIC NAME: 4,6-bis(methoxyamino)-5,6-dihydro-1H-pyrimidin-2-one
MOLECULAR FORMULA: C6H12N4O3
MOLECULAR WEIGHT: 188.18448
SMILES: CONC1CC(=NC(=O)N1)NOC
Structure:

CAS RN: 3473-75-4
CAS Name: disodium 5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
OPENEYE Name: disodium 5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
IUPAC Name: disodium 5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
SYSTEMATIC NAME: disodium 5-oxidanylidene-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
MOLECULAR FORMULA: C10H6N2Na2O6S
MOLECULAR WEIGHT: 328.20898
SMILES: C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+]
Structure:

CAS RN: 3469-21-4
CAS Name: 2,3,4,5-tetramethyl-1-(phenylmethyl)pyrrole
OPENEYE Name: 1-benzyl-2,3,4,5-tetramethyl-pyrrole
IUPAC Name: 1-benzyl-2,3,4,5-tetramethylpyrrole
SYSTEMATIC NAME: 2,3,4,5-tetramethyl-1-(phenylmethyl)pyrrole
MOLECULAR FORMULA: C15H19N
MOLECULAR WEIGHT: 213.31806
SMILES: CC1=C(N(C(=C1C)C)CC2=CC=CC=C2)C
Structure:

CAS RN: 3464-20-8
CAS Name: 3-ethyl-3-phenylpyrrolidine-2,5-dione
OPENEYE Name: 3-ethyl-3-phenyl-pyrrolidine-2,5-dione
IUPAC Name: 3-ethyl-3-phenylpyrrolidine-2,5-dione
SYSTEMATIC NAME: 3-ethyl-3-phenyl-pyrrolidine-2,5-dione
MOLECULAR FORMULA: C12H13NO2
MOLECULAR WEIGHT: 203.23712
SMILES: CCC1(CC(=O)NC1=O)C2=CC=CC=C2
Structure:

CAS RN: 3455-50-3
CAS Name: 2-(diethoxymethyl)-5-nitrofuran
OPENEYE Name: 2-(diethoxymethyl)-5-nitro-furan
IUPAC Name: 2-(diethoxymethyl)-5-nitrofuran
SYSTEMATIC NAME: 2-(diethoxymethyl)-5-nitro-furan
MOLECULAR FORMULA: C9H13NO5
MOLECULAR WEIGHT: 215.20322
SMILES: CCOC(C1=CC=C(O1)[N+](=O)[O-])OCC
Structure:

CAS RN: 3446-04-6
CAS Name: 4-bromo-5-methylbenzene-1,3-diol
OPENEYE Name: 4-bromo-5-methyl-benzene-1,3-diol
IUPAC Name: 4-bromo-5-methylbenzene-1,3-diol
SYSTEMATIC NAME: 4-bromanyl-5-methyl-benzene-1,3-diol
MOLECULAR FORMULA: C7H7BrO2
MOLECULAR WEIGHT: 203.03328
SMILES: CC1=CC(=CC(=C1Br)O)O
Structure:

CAS RN: 3440-79-7
CAS Name: ethyl(tripropyl)stannane
OPENEYE Name: ethyl(tripropyl)stannane
IUPAC Name: ethyl(tripropyl)stannane
SYSTEMATIC NAME: ethyl(tripropyl)stannane
MOLECULAR FORMULA: C11H26Sn
MOLECULAR WEIGHT: 277.03414
SMILES: CCC[Sn](CC)(CCC)CCC
Structure:

CAS RN: 3440-23-1
CAS Name: 1-(1-methoxyethenyl)-4-nitrobenzene
OPENEYE Name: 1-(1-methoxyvinyl)-4-nitro-benzene
IUPAC Name: 1-(1-methoxyethenyl)-4-nitrobenzene
SYSTEMATIC NAME: 1-(1-methoxyethenyl)-4-nitro-benzene
MOLECULAR FORMULA: C9H9NO3
MOLECULAR WEIGHT: 179.17266
SMILES: COC(=C)C1=CC=C(C=C1)[N+](=O)[O-]
Structure:

CAS RN: 3418-95-9
CAS Name: N-[2-(4-chlorophenyl)ethyl]benzamide
OPENEYE Name: N-[2-(4-chlorophenyl)ethyl]benzamide
IUPAC Name: N-[2-(4-chlorophenyl)ethyl]benzamide
SYSTEMATIC NAME: N-[2-(4-chlorophenyl)ethyl]benzamide
MOLECULAR FORMULA: C15H14ClNO
MOLECULAR WEIGHT: 259.73076
SMILES: C1=CC=C(C=C1)C(=O)NCCC2=CC=C(C=C2)Cl
Structure:

CAS RN: 3371-33-3
CAS Name: 1-(3,5-dihydroxyphenyl)-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethanone hydrobromide
OPENEYE Name: 1-(3,5-dihydroxyphenyl)-2-[[2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethanone hydrobromide
IUPAC Name: 1-(3,5-dihydroxyphenyl)-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethanone hydrobromide
SYSTEMATIC NAME: 1-[3,5-bis(oxidanyl)phenyl]-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethanone hydrobromide
MOLECULAR FORMULA: C17H20BrNO4
MOLECULAR WEIGHT: 382.249
SMILES: CC(CC1=CC=C(C=C1)O)NCC(=O)C2=CC(=CC(=C2)O)O.Br
Structure:

CAS RN: 3367-47-3
CAS Name: 1,4-bis(2-methylphenyl)piperazine
OPENEYE Name: 1,4-bis(o-tolyl)piperazine
IUPAC Name: 1,4-bis(2-methylphenyl)piperazine
SYSTEMATIC NAME: 1,4-bis(2-methylphenyl)piperazine
MOLECULAR FORMULA: C18H22N2
MOLECULAR WEIGHT: 266.38068
SMILES: CC1=CC=CC=C1N2CCN(CC2)C3=CC=CC=C3C
Structure:

CAS RN: 3355-05-3
CAS Name: 5,6,7,8-tetrahydronaphthalene-2,3-diol
OPENEYE Name: tetralin-6,7-diol
IUPAC Name: 5,6,7,8-tetrahydronaphthalene-2,3-diol
SYSTEMATIC NAME: 5,6,7,8-tetrahydronaphthalene-2,3-diol
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: C1CCC2=CC(=C(C=C2C1)O)O
Structure:

CAS RN: 3311-29-3
CAS Name: (5-prop-2-ynyl-2-furanyl)methanol
OPENEYE Name: (5-prop-2-ynyl-2-furyl)methanol
IUPAC Name: (5-prop-2-ynylfuran-2-yl)methanol
SYSTEMATIC NAME: (5-prop-2-ynylfuran-2-yl)methanol
MOLECULAR FORMULA: C8H8O2
MOLECULAR WEIGHT: 136.14792
SMILES: C#CCC1=CC=C(O1)CO
Structure:

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