Sunday, May 27, 2012

http://ChemLookup.com Compounds




CAS RN: 54001-63-7
CAS Name: pyrimidine-4,5-dicarboxylic acid
OPENEYE Name: pyrimidine-4,5-dicarboxylic acid
IUPAC Name: pyrimidine-4,5-dicarboxylic acid
SYSTEMATIC NAME: pyrimidine-4,5-dicarboxylic acid
MOLECULAR FORMULA: C6H4N2O4
MOLECULAR WEIGHT: 168.10696
SMILES: C1=C(C(=NC=N1)C(=O)O)C(=O)O
Structure:

CAS RN: 55304-01-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H21Br2ClO3
MOLECULAR WEIGHT: 444.58644
SMILES: CC1(C2(CC(C(CC2O)(C)Cl)Br)C3(C(O3)C4C1(O4)Br)C)C
Structure:

CAS RN: 74848-77-4
CAS Name: (4aS,8R,8aS)-8-hydroxy-1-methyl-3-oxo-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylic acid methyl ester
OPENEYE Name: methyl (4aS,8R,8aS)-8-hydroxy-1-methyl-3-oxo-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylate
IUPAC Name: methyl (4aS,8R,8aS)-8-hydroxy-1-methyl-3-oxo-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylate
SYSTEMATIC NAME: methyl (4aS,8R,8aS)-1-methyl-8-oxidanyl-3-oxidanylidene-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylate
MOLECULAR FORMULA: C11H14O6
MOLECULAR WEIGHT: 242.22526
SMILES: CC1[C@@H]2[C@H](CC(=O)O1)C(=CO[C@H]2O)C(=O)OC
Structure:

CAS RN: 63488-00-6
CAS Name: 5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]oct-2-en-4-ol
OPENEYE Name: 5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]oct-2-en-4-ol
IUPAC Name: 5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]oct-2-en-4-ol
SYSTEMATIC NAME: 5-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]oct-2-en-4-ol
MOLECULAR FORMULA: C7H10O4
MOLECULAR WEIGHT: 158.1519
SMILES: C1C2C=CC(C(O1)(O2)CO)O
Structure:

CAS RN: 7688-58-6
CAS Name: 3-hydroxy-2,2,10-trimethyl-3,4-dihydropyrano[2,3-b]quinolin-5-one
OPENEYE Name: 3-hydroxy-2,2,10-trimethyl-3,4-dihydropyrano[2,3-b]quinolin-5-one
IUPAC Name: 3-hydroxy-2,2,10-trimethyl-3,4-dihydropyrano[2,3-b]quinolin-5-one
SYSTEMATIC NAME: 2,2,10-trimethyl-3-oxidanyl-3,4-dihydropyrano[2,3-b]quinolin-5-one
MOLECULAR FORMULA: C15H17NO3
MOLECULAR WEIGHT: 259.30038
SMILES: CC1(C(CC2=C(O1)N(C3=CC=CC=C3C2=O)C)O)C
Structure:

CAS RN: 5259-05-2
CAS Name: 9-bromobicyclo[6.1.0]non-4-ene
OPENEYE Name: 9-bromobicyclo[6.1.0]non-4-ene
IUPAC Name: 9-bromobicyclo[6.1.0]non-4-ene
SYSTEMATIC NAME: 9-bromanylbicyclo[6.1.0]non-4-ene
MOLECULAR FORMULA: C9H13Br
MOLECULAR WEIGHT: 201.10352
SMILES: C1CC2C(C2Br)CCC=C1
Structure:

CAS RN: 99572-22-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H22N2O6S2
MOLECULAR WEIGHT: 450.52848
SMILES: CSC12CC3[C@@H](N1C(=O)C4(CC5[C@@H](N4C2=O)[C@@H](C=CC5=O)O)SC)[C@@H](C=CC3=O)O
Structure:

CAS RN: 99822-87-4
CAS Name: 4-phenyl-N-[1-(1-piperidinyl)propan-2-yl]-5-thiazolecarboxamide
OPENEYE Name: N-[1-methyl-2-(1-piperidyl)ethyl]-4-phenyl-thiazole-5-carboxamide
IUPAC Name: 4-phenyl-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-5-carboxamide
SYSTEMATIC NAME: 4-phenyl-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-5-carboxamide
MOLECULAR FORMULA: C18H23N3OS
MOLECULAR WEIGHT: 329.45972
SMILES: CC(CN1CCCCC1)NC(=O)C2=C(N=CS2)C3=CC=CC=C3
Structure:

CAS RN: 99822-88-5
CAS Name: 2-(methylthio)-4-phenyl-N-[1-(1-piperidinyl)propan-2-yl]-5-thiazolecarboxamide
OPENEYE Name: N-[1-methyl-2-(1-piperidyl)ethyl]-2-methylsulfanyl-4-phenyl-thiazole-5-carboxamide
IUPAC Name: 2-methylsulfanyl-4-phenyl-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-5-carboxamide
SYSTEMATIC NAME: 2-methylsulfanyl-4-phenyl-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-5-carboxamide
MOLECULAR FORMULA: C19H25N3OS2
MOLECULAR WEIGHT: 375.5513
SMILES: CC(CN1CCCCC1)NC(=O)C2=C(N=C(S2)SC)C3=CC=CC=C3
Structure:

CAS RN: 118953-89-2
CAS Name: 1-(5-methoxy-1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
OPENEYE Name: 1-(5-methoxy-1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
IUPAC Name: 1-(5-methoxy-1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SYSTEMATIC NAME: 1-(5-methoxy-1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
MOLECULAR FORMULA: C18H24N2O
MOLECULAR WEIGHT: 284.39596
SMILES: COC1=CC2=C(C=C1)NC=C2C3CCCN4C3CCCC4
Structure:

CAS RN: 118687-90-4
CAS Name: 1-(5-methyl-1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
OPENEYE Name: 1-(5-methyl-1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
IUPAC Name: 1-(5-methyl-1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SYSTEMATIC NAME: 1-(5-methyl-1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
MOLECULAR FORMULA: C18H24N2
MOLECULAR WEIGHT: 268.39656
SMILES: CC1=CC2=C(C=C1)NC=C2C3CCCN4C3CCCC4
Structure:

CAS RN: 118687-88-0
CAS Name: 1-(5-fluoro-1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
OPENEYE Name: 1-(5-fluoro-1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
IUPAC Name: 1-(5-fluoro-1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SYSTEMATIC NAME: 1-(5-fluoranyl-1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
MOLECULAR FORMULA: C17H21FN2
MOLECULAR WEIGHT: 272.360443
SMILES: C1CCN2CCCC(C2C1)C3=CNC4=C3C=C(C=C4)F
Structure:

CAS RN: 118687-87-9
CAS Name: 1-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
OPENEYE Name: 1-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
IUPAC Name: 1-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SYSTEMATIC NAME: 1-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
MOLECULAR FORMULA: C17H22N2
MOLECULAR WEIGHT: 254.36998
SMILES: C1CCN2CCCC(C2C1)C3=CNC4=CC=CC=C43
Structure:

CAS RN: 121105-78-0
CAS Name: 1-chloro-3-methyl-4-pyrido[1,2-a]benzimidazolecarbonitrile
OPENEYE Name: 1-chloro-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile
IUPAC Name: 1-chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile
SYSTEMATIC NAME: 1-chloranyl-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile
MOLECULAR FORMULA: C13H8ClN3
MOLECULAR WEIGHT: 241.67572
SMILES: CC1=C(C2=NC3=CC=CC=C3N2C(=C1)Cl)C#N
Structure:

CAS RN: 31872-61-4
CAS Name: 4-methoxy-3-nitropyridine
OPENEYE Name: 4-methoxy-3-nitro-pyridine
IUPAC Name: 4-methoxy-3-nitropyridine
SYSTEMATIC NAME: 4-methoxy-3-nitro-pyridine
MOLECULAR FORMULA: C6H6N2O3
MOLECULAR WEIGHT: 154.12344
SMILES: COC1=C(C=NC=C1)[N+](=O)[O-]
Structure:

CAS RN: 31872-62-5
CAS Name: 4-methoxy-3-nitropyridine
OPENEYE Name: 4-methoxy-3-nitro-pyridine
IUPAC Name: 4-methoxy-3-nitropyridine
SYSTEMATIC NAME: 4-methoxy-3-nitro-pyridine
MOLECULAR FORMULA: C6H6N2O3
MOLECULAR WEIGHT: 154.12344
SMILES: COC1=C(C=NC=C1)[N+](=O)[O-]
Structure:

CAS RN: 31872-61-4
CAS Name: 4-methoxy-3-nitropyridine hydrochloride
OPENEYE Name: 4-methoxy-3-nitro-pyridine hydrochloride
IUPAC Name: 4-methoxy-3-nitropyridine hydrochloride
SYSTEMATIC NAME: 4-methoxy-3-nitro-pyridine hydrochloride
MOLECULAR FORMULA: C6H7ClN2O3
MOLECULAR WEIGHT: 190.58438
SMILES: COC1=C(C=NC=C1)[N+](=O)[O-].Cl
Structure:

CAS RN: 108320-78-1
CAS Name: (11-methyl-6H-pyrido[4,3-b]carbazol-5-yl)methanol
OPENEYE Name: (11-methyl-6H-pyrido[4,3-b]carbazol-5-yl)methanol
IUPAC Name: (11-methyl-6H-pyrido[4,3-b]carbazol-5-yl)methanol
SYSTEMATIC NAME: (11-methyl-6H-pyrido[4,3-b]carbazol-5-yl)methanol
MOLECULAR FORMULA: C17H14N2O
MOLECULAR WEIGHT: 262.30586
SMILES: CC1=C2C3=CC=CC=C3NC2=C(C4=C1C=NC=C4)CO
Structure:

CAS RN: 96935-35-2
CAS Name: N-(1-ethyl-5-methyl-2-phenyl-3-pyrazolylidene)-2-hydroxybenzamide
OPENEYE Name: N-(1-ethyl-5-methyl-2-phenyl-pyrazol-3-ylidene)-2-hydroxy-benzamide
IUPAC Name: N-(1-ethyl-5-methyl-2-phenylpyrazol-3-ylidene)-2-hydroxybenzamide
SYSTEMATIC NAME: N-(1-ethyl-5-methyl-2-phenyl-pyrazol-3-ylidene)-2-oxidanyl-benzamide
MOLECULAR FORMULA: C19H19N3O2
MOLECULAR WEIGHT: 321.37306
SMILES: CCN1C(=CC(=NC(=O)C2=CC=CC=C2O)N1C3=CC=CC=C3)C
Structure:

CAS RN: 70803-10-0
CAS Name: 2-hydroxy-N-(5-methyl-2-phenyl-3-pyrazolyl)benzamide
OPENEYE Name: 2-hydroxy-N-(5-methyl-2-phenyl-pyrazol-3-yl)benzamide
IUPAC Name: 2-hydroxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
SYSTEMATIC NAME: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-oxidanyl-benzamide
MOLECULAR FORMULA: C17H15N3O2
MOLECULAR WEIGHT: 293.3199
SMILES: CC1=NN(C(=C1)NC(=O)C2=CC=CC=C2O)C3=CC=CC=C3
Structure:

CAS RN: 4836-13-9
CAS Name: N-[1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-oxo-4-pyrimidinyl]benzamide
OPENEYE Name: N-[1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]benzamide
IUPAC Name: N-[1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
SYSTEMATIC NAME: N-[1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]benzamide
MOLECULAR FORMULA: C16H17N3O5
MOLECULAR WEIGHT: 331.32328
SMILES: C1C(C(OC1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)CO)O
Structure:

CAS RN: 20069-07-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H21N3
MOLECULAR WEIGHT: 267.36874
SMILES: C1C[C@H]2N(C1)CC[C@@H]3N2CCC4=C3NC5=CC=CC=C45
Structure:

CAS RN: 50802-21-6
CAS Name: (6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
OPENEYE Name: (6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
IUPAC Name: (6bS,8aS,11R,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
SYSTEMATIC NAME: (6bS,8aS,11R,12aR,14aR)-4,6a,6b,8a,11,14a-hexamethyl-3-oxidanyl-7,8,9,11,12,12a,13,14-octahydropicene-2,10-dione
MOLECULAR FORMULA: C28H36O3
MOLECULAR WEIGHT: 420.58364
SMILES: C[C@@H]1C[C@@H]2[C@@](CC[C@]3(C2(CC[C@@]4(C3=CC=C5C4=CC(=O)C(=C5C)O)C)C)C)(CC1=O)C
Structure:

CAS RN: 95110-29-5
CAS Name: 7-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,6,8a-tetrahydrothiazolo[3,4-a]pyrazine-5,8-dione
OPENEYE Name: 7-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,6,8a-tetrahydrothiazolo[3,4-a]pyrazine-5,8-dione
IUPAC Name: 7-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
SYSTEMATIC NAME: 7-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-5,8-dione
MOLECULAR FORMULA: C16H20N2O4S
MOLECULAR WEIGHT: 336.406
SMILES: COC1=C(C=C(C=C1)CCN2CC(=O)N3CSCC3C2=O)OC
Structure:

CAS RN: 95263-32-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H30O3
MOLECULAR WEIGHT: 318.4504
SMILES: CC(C)C1=C(C=C2C(C3(CCCC([C@H]3CCC2=C1)(C)C)O)O)O
Structure:

CAS RN: 99152-14-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: CC(C)C1=C(C=C2C[C@]3(CCCC(C3CCC2=C1)(C)C)O)O
Structure:

CAS RN: 86989-09-5
CAS Name: 3-furanyl-[4-methyl-2-(2-methylpropyl)-1-cyclopentenyl]methanone
OPENEYE Name: 3-furyl-(2-isobutyl-4-methyl-cyclopenten-1-yl)methanone
IUPAC Name: furan-3-yl-[4-methyl-2-(2-methylpropyl)cyclopenten-1-yl]methanone
SYSTEMATIC NAME: furan-3-yl-[4-methyl-2-(2-methylpropyl)cyclopenten-1-yl]methanone
MOLECULAR FORMULA: C15H20O2
MOLECULAR WEIGHT: 232.3181
SMILES: CC1CC(=C(C1)C(=O)C2=COC=C2)CC(C)C
Structure:

CAS RN: 29176-55-4
CAS Name: 2,9-dichloro-1,10-phenanthroline
OPENEYE Name: 2,9-dichloro-1,10-phenanthroline
IUPAC Name: 2,9-dichloro-1,10-phenanthroline
SYSTEMATIC NAME: 2,9-bis(chloranyl)-1,10-phenanthroline
MOLECULAR FORMULA: C12H6Cl2N2
MOLECULAR WEIGHT: 249.09544
SMILES: C1=CC2=C(C3=C1C=CC(=N3)Cl)N=C(C=C2)Cl
Structure:

CAS RN: 7089-68-1
CAS Name: 2-chloro-1,10-phenanthroline
OPENEYE Name: 2-chloro-1,10-phenanthroline
IUPAC Name: 2-chloro-1,10-phenanthroline
SYSTEMATIC NAME: 2-chloranyl-1,10-phenanthroline
MOLECULAR FORMULA: C12H7ClN2
MOLECULAR WEIGHT: 214.65038
SMILES: C1=CC2=C(C3=C(C=C2)C=CC(=N3)Cl)N=C1
Structure:

CAS RN: 37451-80-2
CAS Name: (2-phosphonophenyl)phosphonic acid
OPENEYE Name: (2-phosphonophenyl)phosphonic acid
IUPAC Name: (2-phosphonophenyl)phosphonic acid
SYSTEMATIC NAME: (2-phosphonophenyl)phosphonic acid
MOLECULAR FORMULA: C6H8O6P2
MOLECULAR WEIGHT: 238.071642
SMILES: C1=CC=C(C(=C1)P(=O)(O)O)P(=O)(O)O
Structure:

CAS RN: 97500-66-8
CAS Name: 3-(4-hydroxyphenyl)-2-[[2-(1H-indol-3-yl)-1,2-dioxoethyl]amino]propanoic acid
OPENEYE Name: 3-(4-hydroxyphenyl)-2-[[2-(1H-indol-3-yl)-2-oxo-acetyl]amino]propanoic acid
IUPAC Name: 3-(4-hydroxyphenyl)-2-[[2-(1H-indol-3-yl)-2-oxoacetyl]amino]propanoic acid
SYSTEMATIC NAME: 3-(4-hydroxyphenyl)-2-[[2-(1H-indol-3-yl)-2-oxidanylidene-ethanoyl]amino]propanoic acid
MOLECULAR FORMULA: C19H16N2O5
MOLECULAR WEIGHT: 352.34074
SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O
Structure:

CAS RN: 2115-91-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H25NO2
MOLECULAR WEIGHT: 263.3752
SMILES: CC(C)C1[C@H]2C3CCC4C3(C([C@@H]1OC2=O)N(C4)C)C
Structure:

CAS RN: 73211-10-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H32O6
MOLECULAR WEIGHT: 392.48588
SMILES: CC(=O)O[C@H]1CCC2(C(C1(C)C)CC(C34[C@]2(CCC(C3O)C(=C)C4=O)O)O)C
Structure:

CAS RN: 85248-86-8
CAS Name: N,N-dimethyl-5-oxo-2-pyrrolidinecarboxamide
OPENEYE Name: N,N-dimethyl-5-oxo-pyrrolidine-2-carboxamide
IUPAC Name: N,N-dimethyl-5-oxopyrrolidine-2-carboxamide
SYSTEMATIC NAME: N,N-dimethyl-5-oxidanylidene-pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C7H12N2O2
MOLECULAR WEIGHT: 156.18238
SMILES: CN(C)C(=O)C1CCC(=O)N1
Structure:

CAS RN: 91352-66-8
CAS Name: 4-tert-butyl-5-methoxybenzene-1,2-diol
OPENEYE Name: 4-tert-butyl-5-methoxy-benzene-1,2-diol
IUPAC Name: 4-tert-butyl-5-methoxybenzene-1,2-diol
SYSTEMATIC NAME: 4-tert-butyl-5-methoxy-benzene-1,2-diol
MOLECULAR FORMULA: C11H16O3
MOLECULAR WEIGHT: 196.24294
SMILES: CC(C)(C)C1=CC(=C(C=C1OC)O)O
Structure:

CAS RN: 87035-67-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H19NO4
MOLECULAR WEIGHT: 313.34776
SMILES: CN1CCC2=C3C1CC4=C(C(=C(C=C4)OC)O)OC3=C(C=C2)O
Structure:

CAS RN: 41743-44-6
CAS Name: 4-hydroxybenzoic acid [(3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] ester
OPENEYE Name: [(3R,3aS,4S,8aR)-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate
IUPAC Name: [(3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate
SYSTEMATIC NAME: [(3R,3aS,4S,8aR)-6,8a-dimethyl-3-oxidanyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-oxidanylbenzoate
MOLECULAR FORMULA: C22H30O4
MOLECULAR WEIGHT: 358.4712
SMILES: CC1=CC[C@]2(CC[C@]([C@@H]2[C@H](C1)OC(=O)C3=CC=C(C=C3)O)(C(C)C)O)C
Structure:

CAS RN: 69500-35-2
CAS Name: 4-hydroxybenzoic acid [(3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] ester
OPENEYE Name: [(3R,3aS,4S,8aR)-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate
IUPAC Name: [(3R,3aS,4S,8aR)-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate
SYSTEMATIC NAME: [(3R,3aS,4S,8aR)-6,8a-dimethyl-3-oxidanyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-oxidanylbenzoate
MOLECULAR FORMULA: C22H30O4
MOLECULAR WEIGHT: 358.4712
SMILES: CC1=CC[C@]2(CC[C@]([C@@H]2[C@H](C1)OC(=O)C3=CC=C(C=C3)O)(C(C)C)O)C
Structure:

CAS RN: 6619-97-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H32O4
MOLECULAR WEIGHT: 360.48708
SMILES: CC(=O)O[C@@H]1C(=C)C2CC[C@@H]3C1(C2)CC[C@H]4C3(CCCC4(C)C(=O)O)C
Structure:

CAS RN: 79405-82-6
CAS Name: (4aS)-5'-(3-furanyl)-6,8a-dimethyl-2'-oxo-1-spiro[3,4,4a,6,7,8-hexahydronaphthalene-5,3'-oxolane]carboxylic acid methyl ester
OPENEYE Name: methyl (4aS)-5'-(3-furyl)-6,8a-dimethyl-2'-oxo-spiro[3,4,4a,6,7,8-hexahydronaphthalene-5,3'-tetrahydrofuran]-1-carboxylate
IUPAC Name: methyl (4aS)-5'-(furan-3-yl)-6,8a-dimethyl-2'-oxospiro[3,4,4a,6,7,8-hexahydronaphthalene-5,3'-oxolane]-1-carboxylate
SYSTEMATIC NAME: methyl (4aS)-5'-(furan-3-yl)-6,8a-dimethyl-2'-oxidanylidene-spiro[3,4,4a,6,7,8-hexahydronaphthalene-5,3'-oxolane]-1-carboxylate
MOLECULAR FORMULA: C21H26O5
MOLECULAR WEIGHT: 358.42814
SMILES: CC1CCC2([C@@H](C13CC(OC3=O)C4=COC=C4)CCC=C2C(=O)OC)C
Structure:

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