Monday, October 8, 2012

http://ChemLookup.com Compounds



CAS RN: 13063-54-2
CAS Name: 2,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol
OPENEYE Name: 2,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol
IUPAC Name: 2,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol
SYSTEMATIC NAME: 2,9,10-trimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-3-ol
MOLECULAR FORMULA: C20H23NO4
MOLECULAR WEIGHT: 341.40092
SMILES: COC1=C(C2=C(CC3C4=CC(=C(C=C4CCN3C2)O)OC)C=C1)OC
Structure:
CAS RN: 32808-67-6
CAS Name: 1,1-dichloro-2,2,3,3,4,4-hexafluorocyclobutane
OPENEYE Name: 1,1-dichloro-2,2,3,3,4,4-hexafluoro-cyclobutane
IUPAC Name: 1,1-dichloro-2,2,3,3,4,4-hexafluorocyclobutane
SYSTEMATIC NAME: 1,1-bis(chloranyl)-2,2,3,3,4,4-hexakis(fluoranyl)cyclobutane
MOLECULAR FORMULA: C4Cl2F6
MOLECULAR WEIGHT: 232.939219
SMILES: C1(C(C(C1(F)F)(Cl)Cl)(F)F)(F)F
Structure:
CAS RN: 26948-90-3
CAS Name: 1,3-dichloro-1-propanol
OPENEYE Name: 1,3-dichloropropan-1-ol
IUPAC Name: 1,3-dichloropropan-1-ol
SYSTEMATIC NAME: 1,3-bis(chloranyl)propan-1-ol
MOLECULAR FORMULA: C3H6Cl2O
MOLECULAR WEIGHT: 128.98514
SMILES: C(CCl)C(O)Cl
Structure:
CAS RN: 32505-78-5
CAS Name: 1,1,1-trifluoro-2-tetradecanone
OPENEYE Name: 1,1,1-trifluorotetradecan-2-one
IUPAC Name: 1,1,1-trifluorotetradecan-2-one
SYSTEMATIC NAME: 1,1,1-tris(fluoranyl)tetradecan-2-one
MOLECULAR FORMULA: C14H25F3O
MOLECULAR WEIGHT: 266.34291
SMILES: CCCCCCCCCCCCC(=O)C(F)(F)F
Structure:
CAS RN: 30820-22-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C30H46O4
MOLECULAR WEIGHT: 470.68384
SMILES: CC(C)CCC[C@]1([C@]2(CC[C@@]3([C@@]2(CC=C4C3=CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C(=O)O1)C)O)C
Structure:
CAS RN: 30091-01-1
CAS Name: amino(phenylimino)methanesulfonic acid
OPENEYE Name: amino(phenylimino)methanesulfonic acid
IUPAC Name: amino(phenylimino)methanesulfonic acid
SYSTEMATIC NAME: azanyl(phenylimino)methanesulfonic acid
MOLECULAR FORMULA: C7H8N2O3S
MOLECULAR WEIGHT: 200.21502
SMILES: C1=CC=C(C=C1)N=C(N)S(=O)(=O)O
Structure:
CAS RN: 16484-77-8
CAS Name: (2R)-2-(4-chloro-2-methylphenoxy)propanoic acid
OPENEYE Name: (2R)-2-(4-chloro-2-methyl-phenoxy)propanoic acid
IUPAC Name: (2R)-2-(4-chloro-2-methylphenoxy)propanoic acid
SYSTEMATIC NAME: (2R)-2-(4-chloranyl-2-methyl-phenoxy)propanoic acid
MOLECULAR FORMULA: C10H11ClO3
MOLECULAR WEIGHT: 214.64554
SMILES: CC1=C(C=CC(=C1)Cl)O[C@H](C)C(=O)O
Structure:
CAS RN: 30002-86-9
CAS Name: acetic acid [(5R,7R,9R,10R,13S,17R)-17-(3-furanyl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] ester
OPENEYE Name: [(5R,7R,9R,10R,13S,17R)-17-(3-furyl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
IUPAC Name: [(5R,7R,9R,10R,13S,17R)-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
SYSTEMATIC NAME: [(5R,7R,9R,10R,13S,17R)-17-(furan-3-yl)-4,4,8,10,13-pentamethyl-3-oxidanylidene-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] ethanoate
MOLECULAR FORMULA: C28H36O4
MOLECULAR WEIGHT: 436.58304
SMILES: CC(=O)O[C@@H]1C[C@@H]2[C@](C=CC(=O)C2(C)C)([C@@H]3C1(C4=CC[C@H]([C@@]4(CC3)C)C5=COC=C5)C)C
Structure:
CAS RN: 17991-48-9
CAS Name: (1S)-1-[(2R,4S,5R)-5-hydroxy-4-[(3S,9R,10R,13S,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxolanyl]-2-methylpropane-1,2-diol
OPENEYE Name: (1S)-1-[(2R,4S,5R)-5-hydroxy-4-[(3S,9R,10R,13S,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]tetrahydrofuran-2-yl]-2-methyl-propane-1,2-diol
IUPAC Name: (1S)-1-[(2R,4S,5R)-5-hydroxy-4-[(3S,9R,10R,13S,14S,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-yl]-2-methylpropane-1,2-diol
SYSTEMATIC NAME: (1S)-2-methyl-1-[(2R,4S,5R)-5-oxidanyl-4-[(3S,9R,10R,13S,14S,17R)-4,4,10,13,14-pentamethyl-3-oxidanyl-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-yl]propane-1,2-diol
MOLECULAR FORMULA: C30H50O5
MOLECULAR WEIGHT: 490.715
SMILES: C[C@@]12CC[C@H]3C(=CCC4[C@@]3(CC[C@@H](C4(C)C)O)C)[C@]1(CC[C@@H]2[C@@H]5C[C@@H](O[C@H]5O)[C@@H](C(C)(C)O)O)C
Structure:
CAS RN: 1439-07-2
CAS Name: (2R,3R)-2,3-diphenyloxirane
OPENEYE Name: (2R,3R)-2,3-diphenyloxirane
IUPAC Name: (2R,3R)-2,3-diphenyloxirane
SYSTEMATIC NAME: (2R,3R)-2,3-diphenyloxirane
MOLECULAR FORMULA: C14H12O
MOLECULAR WEIGHT: 196.24448
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](O2)C3=CC=CC=C3
Structure:
CAS RN: 25137-01-3
CAS Name: (3R)-3-piperidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl (3R)-piperidine-3-carboxylate
IUPAC Name: ethyl (3R)-piperidine-3-carboxylate
SYSTEMATIC NAME: ethyl (3R)-piperidine-3-carboxylate
MOLECULAR FORMULA: C8H15NO2
MOLECULAR WEIGHT: 157.2102
SMILES: CCOC(=O)[C@@H]1CCCNC1
Structure:
CAS RN: 2917-45-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H43NO2
MOLECULAR WEIGHT: 413.63582
SMILES: C[C@H]1C[C@@H]([C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)O
Structure:
CAS RN: 24447-13-0
CAS Name: iridium-186
OPENEYE Name: iridium-186
IUPAC Name: iridium-186
SYSTEMATIC NAME: iridium-186
MOLECULAR FORMULA: Ir
MOLECULAR WEIGHT: 185.957951
SMILES: [186Ir]
Structure:

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