Tuesday, September 4, 2012

http://ChemLookup.com Compounds




CAS RN: 73454-90-7
CAS Name: 2-hydroxy-N-(4-methyl-2-nitrophenyl)-3-nitrobenzamide
OPENEYE Name: 2-hydroxy-N-(4-methyl-2-nitro-phenyl)-3-nitro-benzamide
IUPAC Name: 2-hydroxy-N-(4-methyl-2-nitrophenyl)-3-nitrobenzamide
SYSTEMATIC NAME: N-(4-methyl-2-nitro-phenyl)-3-nitro-2-oxidanyl-benzamide
MOLECULAR FORMULA: C14H11N3O6
MOLECULAR WEIGHT: 317.25364
SMILES: CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O)[N+](=O)[O-]
Structure:

CAS RN: 2448-82-0
CAS Name: N,N-dibutyl-4-(1-indenylidenemethyl)aniline
OPENEYE Name: N,N-dibutyl-4-(inden-1-ylidenemethyl)aniline
IUPAC Name: N,N-dibutyl-4-(inden-1-ylidenemethyl)aniline
SYSTEMATIC NAME: N,N-dibutyl-4-(inden-1-ylidenemethyl)aniline
MOLECULAR FORMULA: C24H29N
MOLECULAR WEIGHT: 331.49376
SMILES: CCCCN(CCCC)C1=CC=C(C=C1)C=C2C=CC3=CC=CC=C32
Structure:

CAS RN: 67953-11-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H35BO4
MOLECULAR WEIGHT: 362.3112
SMILES: B1(O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](CC[C@@]5([C@H]4CC[C@@]3([C@H]2O1)C)C)OCC)O
Structure:

CAS RN: 5435-62-1
CAS Name: (3S,8S,9S,10R,13R,14S,16S)-3-methoxy-10,13,16-trimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-ol
OPENEYE Name: (3S,8S,9S,10R,13R,14S,16S)-3-methoxy-10,13,16-trimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-ol
IUPAC Name: (3S,8S,9S,10R,13R,14S,16S)-3-methoxy-10,13,16-trimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-ol
SYSTEMATIC NAME: (3S,8S,9S,10R,13R,14S,16S)-3-methoxy-10,13,16-trimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-16-ol
MOLECULAR FORMULA: C21H34O2
MOLECULAR WEIGHT: 318.49346
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@](C2)(C)O)CC=C4[C@@]3(CC[C@@H](C4)OC)C
Structure:

CAS RN: 16987-40-9
CAS Name: N-(1-azepanyl)-1-(2,4-dichlorophenyl)methanimine
OPENEYE Name: N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine
IUPAC Name: N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine
SYSTEMATIC NAME: N-(azepan-1-yl)-1-(2,4-dichlorophenyl)methanimine
MOLECULAR FORMULA: C13H16Cl2N2
MOLECULAR WEIGHT: 271.18554
SMILES: C1CCCN(CC1)N=CC2=C(C=C(C=C2)Cl)Cl
Structure:

CAS RN: 20801-64-3
CAS Name: methanesulfonic acid 2,3,4,5,6-pentakis(methylsulfonyloxy)hexyl ester
OPENEYE Name: 2,3,4,5,6-pentakis(methylsulfonyloxy)hexyl methanesulfonate
IUPAC Name: 2,3,4,5,6-pentakis(methylsulfonyloxy)hexyl methanesulfonate
SYSTEMATIC NAME: 2,3,4,5,6-pentakis(methylsulfonyloxy)hexyl methanesulfonate
MOLECULAR FORMULA: C12H26O18S6
MOLECULAR WEIGHT: 650.71404
SMILES: CS(=O)(=O)OCC(C(C(C(COS(=O)(=O)C)OS(=O)(=O)C)OS(=O)(=O)C)OS(=O)(=O)C)OS(=O)(=O)C
Structure:

CAS RN: 427-39-4
CAS Name: (4-fluorophenyl)-diphenylmethanol
OPENEYE Name: (4-fluorophenyl)-diphenyl-methanol
IUPAC Name: (4-fluorophenyl)-diphenylmethanol
SYSTEMATIC NAME: (4-fluorophenyl)-diphenyl-methanol
MOLECULAR FORMULA: C19H15FO
MOLECULAR WEIGHT: 278.320203
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)F)O
Structure:

CAS RN: 5423-31-4
CAS Name: (4-fluorophenyl)-diphenylmethanol
OPENEYE Name: (4-fluorophenyl)-diphenyl-methanol
IUPAC Name: (4-fluorophenyl)-diphenylmethanol
SYSTEMATIC NAME: (4-fluorophenyl)-diphenyl-methanol
MOLECULAR FORMULA: C19H15FO
MOLECULAR WEIGHT: 278.320203
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)F)O
Structure:

CAS RN: 2190-04-7
CAS Name: acetic acid; 1-octadecanamine
OPENEYE Name: acetic acid; octadecan-1-amine
IUPAC Name: acetic acid; octadecan-1-amine
SYSTEMATIC NAME: ethanoic acid; octadecan-1-amine
MOLECULAR FORMULA: C20H43NO2
MOLECULAR WEIGHT: 329.56092
SMILES: CCCCCCCCCCCCCCCCCCN.CC(=O)O
Structure:

CAS RN: 3473-52-7
CAS Name: acetic acid 1-diethoxyphosphorylheptyl ester
OPENEYE Name: 1-diethoxyphosphorylheptyl acetate
IUPAC Name: 1-diethoxyphosphorylheptyl acetate
SYSTEMATIC NAME: 1-diethoxyphosphorylheptyl ethanoate
MOLECULAR FORMULA: C13H27O5P
MOLECULAR WEIGHT: 294.324241
SMILES: CCCCCCC(OC(=O)C)P(=O)(OCC)OCC
Structure:

CAS RN: 1452-63-7
CAS Name: 2-pyridinecarbohydrazide
OPENEYE Name: pyridine-2-carbohydrazide
IUPAC Name: pyridine-2-carbohydrazide
SYSTEMATIC NAME: pyridine-2-carbohydrazide
MOLECULAR FORMULA: C6H7N3O
MOLECULAR WEIGHT: 137.13928
SMILES: C1=CC=NC(=C1)C(=O)NN
Structure:

CAS RN: 41148-73-6
CAS Name: 1-[[3-[[[anilino(oxo)methyl]amino]methyl]phenyl]methyl]-3-phenylurea
OPENEYE Name: 1-phenyl-3-[[3-[(phenylcarbamoylamino)methyl]phenyl]methyl]urea
IUPAC Name: 1-phenyl-3-[[3-[(phenylcarbamoylamino)methyl]phenyl]methyl]urea
SYSTEMATIC NAME: 1-phenyl-3-[[3-[(phenylcarbamoylamino)methyl]phenyl]methyl]urea
MOLECULAR FORMULA: C22H22N4O2
MOLECULAR WEIGHT: 374.43568
SMILES: C1=CC=C(C=C1)NC(=O)NCC2=CC(=CC=C2)CNC(=O)NC3=CC=CC=C3
Structure:

CAS RN: 15267-30-8
CAS Name: 1-(3,4-dichlorophenyl)-3-(3-pyridinyl)urea
OPENEYE Name: 1-(3,4-dichlorophenyl)-3-(3-pyridyl)urea
IUPAC Name: 1-(3,4-dichlorophenyl)-3-pyridin-3-ylurea
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-3-pyridin-3-yl-urea
MOLECULAR FORMULA: C12H9Cl2N3O
MOLECULAR WEIGHT: 282.12536
SMILES: C1=CC(=CN=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl
Structure:

CAS RN: 2358-54-5
CAS Name: 2-(2,2,2-trifluoroethoxy)ethanol
OPENEYE Name: 2-(2,2,2-trifluoroethoxy)ethanol
IUPAC Name: 2-(2,2,2-trifluoroethoxy)ethanol
SYSTEMATIC NAME: 2-[2,2,2-tris(fluoranyl)ethoxy]ethanol
MOLECULAR FORMULA: C4H7F3O2
MOLECULAR WEIGHT: 144.09239
SMILES: C(COCC(F)(F)F)O
Structure:

CAS RN: 4282-29-5
CAS Name: thiophene-3,4-dicarboxylic acid
OPENEYE Name: thiophene-3,4-dicarboxylic acid
IUPAC Name: thiophene-3,4-dicarboxylic acid
SYSTEMATIC NAME: thiophene-3,4-dicarboxylic acid
MOLECULAR FORMULA: C6H4O4S
MOLECULAR WEIGHT: 172.15856
SMILES: C1=C(C(=CS1)C(=O)O)C(=O)O
Structure:

CAS RN: 1451-95-2
CAS Name: thiophene-2,3-dicarboxylic acid
OPENEYE Name: thiophene-2,3-dicarboxylic acid
IUPAC Name: thiophene-2,3-dicarboxylic acid
SYSTEMATIC NAME: thiophene-2,3-dicarboxylic acid
MOLECULAR FORMULA: C6H4O4S
MOLECULAR WEIGHT: 172.15856
SMILES: C1=CSC(=C1C(=O)O)C(=O)O
Structure:

CAS RN: 36157-39-8
CAS Name: thiophene-2,4-dicarboxylic acid
OPENEYE Name: thiophene-2,4-dicarboxylic acid
IUPAC Name: thiophene-2,4-dicarboxylic acid
SYSTEMATIC NAME: thiophene-2,4-dicarboxylic acid
MOLECULAR FORMULA: C6H4O4S
MOLECULAR WEIGHT: 172.15856
SMILES: C1=C(SC=C1C(=O)O)C(=O)O
Structure:

CAS RN: 1173-26-8
CAS Name: acetic acid [2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
OPENEYE Name: [2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
IUPAC Name: [2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
SYSTEMATIC NAME: [2-[(8S,9S,10R,11S,13S,14S,17S)-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate
MOLECULAR FORMULA: C23H32O5
MOLECULAR WEIGHT: 388.49718
SMILES: CC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C
Structure:

CAS RN: 18283-33-5
CAS Name: 2-fluoro-2-(2-methylpropyl)propanediamide
OPENEYE Name: 2-fluoro-2-isobutyl-propanediamide
IUPAC Name: 2-fluoro-2-(2-methylpropyl)propanediamide
SYSTEMATIC NAME: 2-fluoranyl-2-(2-methylpropyl)propanediamide
MOLECULAR FORMULA: C7H13FN2O2
MOLECULAR WEIGHT: 176.188723
SMILES: CC(C)CC(C(=O)N)(C(=O)N)F
Structure:

CAS RN: 18491-25-3
CAS Name: 1-fluoropropane-1,1,3-tricarboxamide
OPENEYE Name: 1-fluoropropane-1,1,3-tricarboxamide
IUPAC Name: 1-fluoropropane-1,1,3-tricarboxamide
SYSTEMATIC NAME: 1-fluoranylpropane-1,1,3-tricarboxamide
MOLECULAR FORMULA: C6H10FN3O3
MOLECULAR WEIGHT: 191.160303
SMILES: C(CC(C(=O)N)(C(=O)N)F)C(=O)N
Structure:

CAS RN: 18283-30-2
CAS Name: 2-fluoro-2-methylpropanediamide
OPENEYE Name: 2-fluoro-2-methyl-propanediamide
IUPAC Name: 2-fluoro-2-methylpropanediamide
SYSTEMATIC NAME: 2-fluoranyl-2-methyl-propanediamide
MOLECULAR FORMULA: C4H7FN2O2
MOLECULAR WEIGHT: 134.108983
SMILES: CC(C(=O)N)(C(=O)N)F
Structure:

CAS RN: 56329-30-7
CAS Name: (1-methyl-9H-carbazol-2-yl)methanol
OPENEYE Name: (1-methyl-9H-carbazol-2-yl)methanol
IUPAC Name: (1-methyl-9H-carbazol-2-yl)methanol
SYSTEMATIC NAME: (1-methyl-9H-carbazol-2-yl)methanol
MOLECULAR FORMULA: C14H13NO
MOLECULAR WEIGHT: 211.25912
SMILES: CC1=C(C=CC2=C1NC3=CC=CC=C23)CO
Structure:

CAS RN: 16183-21-4
CAS Name: 1-(3-chloropropyl)-1-nitroso-3-phenylurea
OPENEYE Name: 1-(3-chloropropyl)-1-nitroso-3-phenyl-urea
IUPAC Name: 1-(3-chloropropyl)-1-nitroso-3-phenylurea
SYSTEMATIC NAME: 1-(3-chloranylpropyl)-1-nitroso-3-phenyl-urea
MOLECULAR FORMULA: C10H12ClN3O2
MOLECULAR WEIGHT: 241.67418
SMILES: C1=CC=C(C=C1)NC(=O)N(CCCCl)N=O
Structure:

CAS RN: 1630-53-1
CAS Name: 1-(2-bromoethyl)-3-cyclohexylurea
OPENEYE Name: 1-(2-bromoethyl)-3-cyclohexyl-urea
IUPAC Name: 1-(2-bromoethyl)-3-cyclohexylurea
SYSTEMATIC NAME: 1-(2-bromoethyl)-3-cyclohexyl-urea
MOLECULAR FORMULA: C9H17BrN2O
MOLECULAR WEIGHT: 249.14808
SMILES: C1CCC(CC1)NC(=O)NCCBr
Structure:

CAS RN: 13131-76-5
CAS Name: 2,6-ditert-butyl-4-(diphenylmethylene)-1-cyclohexa-2,5-dienone
OPENEYE Name: 4-benzhydrylidene-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one
IUPAC Name: 4-benzhydrylidene-2,6-ditert-butylcyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2,6-ditert-butyl-4-(diphenylmethylidene)cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C27H30O
MOLECULAR WEIGHT: 370.5265
SMILES: CC(C)(C)C1=CC(=C(C2=CC=CC=C2)C3=CC=CC=C3)C=C(C1=O)C(C)(C)C
Structure:

CAS RN: 13145-54-5
CAS Name: 2,6-ditert-butyl-4-(diphenylmethyl)phenol
OPENEYE Name: 4-benzhydryl-2,6-ditert-butyl-phenol
IUPAC Name: 4-benzhydryl-2,6-ditert-butylphenol
SYSTEMATIC NAME: 2,6-ditert-butyl-4-(diphenylmethyl)phenol
MOLECULAR FORMULA: C27H32O
MOLECULAR WEIGHT: 372.54238
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C2=CC=CC=C2)C3=CC=CC=C3
Structure:

CAS RN: 26059-81-4
CAS Name: methanesulfonic acid [(2R,3S)-3-(methylsulfonyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl ester
OPENEYE Name: [(2R,3S)-3-(methylsulfonyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl methanesulfonate
IUPAC Name: [(2R,3S)-3-(methylsulfonyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl methanesulfonate
SYSTEMATIC NAME: [(2R,3S)-3-(methylsulfonyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl methanesulfonate
MOLECULAR FORMULA: C11H18O6S2
MOLECULAR WEIGHT: 310.38702
SMILES: CS(=O)(=O)OC[C@@H]1[C@@H](C2CC1C=C2)COS(=O)(=O)C
Structure:

CAS RN: 2434-86-8
CAS Name: methanesulfonic acid [(2R,3S)-3-(methylsulfonyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl ester
OPENEYE Name: [(2R,3S)-3-(methylsulfonyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl methanesulfonate
IUPAC Name: [(2R,3S)-3-(methylsulfonyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl methanesulfonate
SYSTEMATIC NAME: [(2R,3S)-3-(methylsulfonyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl methanesulfonate
MOLECULAR FORMULA: C11H18O6S2
MOLECULAR WEIGHT: 310.38702
SMILES: CS(=O)(=O)OC[C@@H]1[C@@H](C2CC1C=C2)COS(=O)(=O)C
Structure:

CAS RN: 89797-67-1
CAS Name: 2-[2-(diaminomethylidene)hydrazinyl]-2-oxoacetic acid
OPENEYE Name: 2-[2-(diaminomethylene)hydrazino]-2-oxo-acetic acid
IUPAC Name: 2-[2-(diaminomethylidene)hydrazinyl]-2-oxoacetic acid
SYSTEMATIC NAME: 2-[2-[bis(azanyl)methylidene]hydrazinyl]-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C3H6N4O3
MOLECULAR WEIGHT: 146.10474
SMILES: C(=O)(C(=O)O)NN=C(N)N
Structure:

CAS RN: 875-66-1
CAS Name: 1H-cinnolin-4-one
OPENEYE Name: 1H-cinnolin-4-one
IUPAC Name: 1H-cinnolin-4-one
SYSTEMATIC NAME: 1H-cinnolin-4-one
MOLECULAR FORMULA: C8H6N2O
MOLECULAR WEIGHT: 146.14604
SMILES: C1=CC=C2C(=C1)C(=O)C=NN2
Structure:

CAS RN: 5314-11-4
CAS Name: 1,4-bis(dimethylphosphoryloxy)butane
OPENEYE Name: 1,4-bis(dimethylphosphoryloxy)butane
IUPAC Name: 1,4-bis(dimethylphosphoryloxy)butane
SYSTEMATIC NAME: 1,4-bis(dimethylphosphoryloxy)butane
MOLECULAR FORMULA: C8H20O4P2
MOLECULAR WEIGHT: 242.189522
SMILES: CP(=O)(C)OCCCCOP(=O)(C)C
Structure:

CAS RN: 22776-66-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H15NO2
MOLECULAR WEIGHT: 301.3386
SMILES: CC1(C2C3=C(C4=CC=CC=C4N=C3C5=CC=CC=C51)C(=O)O2)C
Structure:

CAS RN: 56969-65-4
CAS Name: 5,5-dimethyl-6-benzo[c]acridinone
OPENEYE Name: 5,5-dimethylbenzo[c]acridin-6-one
IUPAC Name: 5,5-dimethylbenzo[c]acridin-6-one
SYSTEMATIC NAME: 5,5-dimethylbenzo[c]acridin-6-one
MOLECULAR FORMULA: C19H15NO
MOLECULAR WEIGHT: 273.3285
SMILES: CC1(C2=CC=CC=C2C3=NC4=CC=CC=C4C=C3C1=O)C
Structure:

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