CAS RN: 70562-63-9
CAS Name: 11-bromo-1,4-dioxaspiro[4.6]undecane
OPENEYE Name: 11-bromo-1,4-dioxaspiro[4.6]undecane
IUPAC Name: 11-bromo-1,4-dioxaspiro[4.6]undecane
SYSTEMATIC NAME: 11-bromanyl-1,4-dioxaspiro[4.6]undecane
MOLECULAR FORMULA: C9H15BrO2
MOLECULAR WEIGHT: 235.1182
SMILES: C1CCC(C2(CC1)OCCO2)Br
Structure:
CAS RN: 64829-31-8
CAS Name: 2-(3-methoxy-4-methylphenyl)acetonitrile
OPENEYE Name: 2-(3-methoxy-4-methyl-phenyl)acetonitrile
IUPAC Name: 2-(3-methoxy-4-methylphenyl)acetonitrile
SYSTEMATIC NAME: 2-(3-methoxy-4-methyl-phenyl)ethanenitrile
MOLECULAR FORMULA: C10H11NO
MOLECULAR WEIGHT: 161.20044
SMILES: CC1=C(C=C(C=C1)CC#N)OC
Structure:
CAS RN: 4025-59-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H46O2
MOLECULAR WEIGHT: 402.65294
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC4C5(C3(CCC(C5)O)C)O4)C
Structure:
CAS RN: 5953-63-9
CAS Name: benzoic acid (3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) ester
OPENEYE Name: (3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) benzoate
IUPAC Name: (3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) benzoate
SYSTEMATIC NAME: (3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) benzoate
MOLECULAR FORMULA: C28H36O4
MOLECULAR WEIGHT: 436.58304
SMILES: CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4OC(=O)C5=CC=CC=C5)C)C
Structure:
CAS RN: 2429-48-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H46O
MOLECULAR WEIGHT: 398.66424
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC45C3(CCC(=O)C4C5)C)C
Structure:
CAS RN: 3439-92-7
CAS Name: (3-fluoro-2-naphthalenyl)methanol
OPENEYE Name: (3-fluoro-2-naphthyl)methanol
IUPAC Name: (3-fluoronaphthalen-2-yl)methanol
SYSTEMATIC NAME: (3-fluoranylnaphthalen-2-yl)methanol
MOLECULAR FORMULA: C11H9FO
MOLECULAR WEIGHT: 176.186963
SMILES: C1=CC=C2C=C(C(=CC2=C1)CO)F
Structure:
CAS RN: 104771-98-4
CAS Name: 2-[5-(4-acetyloxy-1-methyl-2-oxocyclohexyl)-7a-methyl-1-(6-methylheptan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]acetic acid
OPENEYE Name: 2-[5-(4-acetoxy-1-methyl-2-oxo-cyclohexyl)-1-(1,5-dimethylhexyl)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]acetic acid
IUPAC Name: 2-[5-(4-acetyloxy-1-methyl-2-oxocyclohexyl)-7a-methyl-1-(6-methylheptan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]acetic acid
SYSTEMATIC NAME: 2-[5-(4-acetyloxy-1-methyl-2-oxidanylidene-cyclohexyl)-7a-methyl-1-(6-methylheptan-2-yl)-1,2,3,3a,4,5,6,7-octahydroinden-4-yl]ethanoic acid
MOLECULAR FORMULA: C29H48O5
MOLECULAR WEIGHT: 476.68842
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC(C2CC(=O)O)C3(CCC(CC3=O)OC(=O)C)C)C
Structure:
CAS RN: 34985-41-6
CAS Name: 7-methoxy-2,3-dihydroinden-1-one
OPENEYE Name: 7-methoxyindan-1-one
IUPAC Name: 7-methoxy-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 7-methoxy-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C10H10O2
MOLECULAR WEIGHT: 162.1852
SMILES: COC1=CC=CC2=C1C(=O)CC2
Structure:
CAS RN: 7494-34-0
CAS Name: 6-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-heptanone
OPENEYE Name: 6-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptan-2-one
IUPAC Name: 6-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptan-2-one
SYSTEMATIC NAME: 6-(10,13-dimethyl-3-oxidanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptan-2-one
MOLECULAR FORMULA: C26H42O2
MOLECULAR WEIGHT: 386.61048
SMILES: CC(CCCC(=O)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
Structure:
CAS RN: 1145-91-1
CAS Name: phenyl-(2-phenylcyclopropyl)methanone
OPENEYE Name: phenyl-(2-phenylcyclopropyl)methanone
IUPAC Name: phenyl-(2-phenylcyclopropyl)methanone
SYSTEMATIC NAME: phenyl-(2-phenylcyclopropyl)methanone
MOLECULAR FORMULA: C16H14O
MOLECULAR WEIGHT: 222.28176
SMILES: C1C(C1C(=O)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 1145-92-2
CAS Name: phenyl-(2-phenylcyclopropyl)methanone
OPENEYE Name: phenyl-(2-phenylcyclopropyl)methanone
IUPAC Name: phenyl-(2-phenylcyclopropyl)methanone
SYSTEMATIC NAME: phenyl-(2-phenylcyclopropyl)methanone
MOLECULAR FORMULA: C16H14O
MOLECULAR WEIGHT: 222.28176
SMILES: C1C(C1C(=O)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 4330-21-6
CAS Name: 4-methylbenzoic acid [5-chloro-3-[(4-methylphenyl)-oxomethoxy]-2-oxolanyl]methyl ester
OPENEYE Name: [5-chloro-3-(4-methylbenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-methylbenzoate
IUPAC Name: [5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate
SYSTEMATIC NAME: [5-chloranyl-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate
MOLECULAR FORMULA: C21H21ClO5
MOLECULAR WEIGHT: 388.84144
SMILES: CC1=CC=C(C=C1)C(=O)OCC2C(CC(O2)Cl)OC(=O)C3=CC=C(C=C3)C
Structure:
CAS RN: 7691-07-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H21NO4
MOLECULAR WEIGHT: 327.37434
SMILES: CN1C2CC3=C(C1CC4=CC(=C(C=C24)O)OC)C(=C(C=C3)OC)O
Structure:
CAS RN: 2292-20-8
CAS Name: 3,4,10,11-tetramethoxy-6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one
OPENEYE Name: 3,4,10,11-tetramethoxy-6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one
IUPAC Name: 3,4,10,11-tetramethoxy-6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one
SYSTEMATIC NAME: 3,4,10,11-tetramethoxy-6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one
MOLECULAR FORMULA: C22H27NO5
MOLECULAR WEIGHT: 385.45348
SMILES: CN1CCC2=CC(=C(C=C2C(=O)CC3=C(C1)C(=C(C=C3)OC)OC)OC)OC
Structure:
CAS RN: 301207-46-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H21NO4
MOLECULAR WEIGHT: 327.37434
SMILES: CN1C2CC3=CC(=C(C=C3C1CC4=CC(=C(C=C24)O)OC)OC)O
Structure:
CAS RN: 465-15-6
CAS Name: acetic acid [3,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ester
OPENEYE Name: [3,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
IUPAC Name: [3,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
SYSTEMATIC NAME: [10,13-dimethyl-3,14-bis(oxidanyl)-17-(5-oxidanylidene-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ethanoate
MOLECULAR FORMULA: C25H36O6
MOLECULAR WEIGHT: 432.54974
SMILES: CC(=O)OC1CC2(C3CCC4CC(CCC4(C3CCC2(C1C5=CC(=O)OC5)C)C)O)O
Structure:
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