CAS RN: 42044-26-8
CAS Name: 6-tert-butyl-1,2,3,4-tetrahydronaphthalene
OPENEYE Name: 6-tert-butyltetralin
IUPAC Name: 6-tert-butyl-1,2,3,4-tetrahydronaphthalene
SYSTEMATIC NAME: 6-tert-butyl-1,2,3,4-tetrahydronaphthalene
MOLECULAR FORMULA: C14H20
MOLECULAR WEIGHT: 188.3086
SMILES: CC(C)(C)C1=CC2=C(CCCC2)C=C1
Structure:
CAS RN: 5581-94-2
CAS Name: 3-tert-butyl-1-cyclopentanone
OPENEYE Name: 3-tert-butylcyclopentanone
IUPAC Name: 3-tert-butylcyclopentan-1-one
SYSTEMATIC NAME: 3-tert-butylcyclopentan-1-one
MOLECULAR FORMULA: C9H16O
MOLECULAR WEIGHT: 140.22274
SMILES: CC(C)(C)C1CCC(=O)C1
Structure:
CAS RN: 93433-97-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H16O2
MOLECULAR WEIGHT: 240.29704
SMILES: C1CC2CC1C3=C2C(=O)C4=C(C3=O)C5CCC4C5
Structure:
CAS RN: 2362-73-4
CAS Name: 2-phenyl-1-cyclopentanol
OPENEYE Name: 2-phenylcyclopentanol
IUPAC Name: 2-phenylcyclopentan-1-ol
SYSTEMATIC NAME: 2-phenylcyclopentan-1-ol
MOLECULAR FORMULA: C11H14O
MOLECULAR WEIGHT: 162.22826
SMILES: C1CC(C(C1)O)C2=CC=CC=C2
Structure:
CAS RN: 6373-11-1
CAS Name: aceanthrylene-1,2-dione
OPENEYE Name: aceanthrylene-1,2-dione
IUPAC Name: aceanthrylene-1,2-dione
SYSTEMATIC NAME: aceanthrylene-1,2-dione
MOLECULAR FORMULA: C16H8O2
MOLECULAR WEIGHT: 232.23352
SMILES: C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C(=O)C4=O
Structure:
CAS RN: 40614-27-5
CAS Name: 4,4-dimethyl-3,4-dihydro-2H-1-benzopyran
OPENEYE Name: 4,4-dimethylchromane
IUPAC Name: 4,4-dimethyl-2,3-dihydrochromene
SYSTEMATIC NAME: 4,4-dimethyl-2,3-dihydrochromene
MOLECULAR FORMULA: C11H14O
MOLECULAR WEIGHT: 162.22826
SMILES: CC1(CCOC2=CC=CC=C21)C
Structure:
CAS RN: 84304-32-5
CAS Name: 4-nitrobenzoic acid (2-phenylcyclohexyl) ester
OPENEYE Name: (2-phenylcyclohexyl) 4-nitrobenzoate
IUPAC Name: (2-phenylcyclohexyl) 4-nitrobenzoate
SYSTEMATIC NAME: (2-phenylcyclohexyl) 4-nitrobenzoate
MOLECULAR FORMULA: C19H19NO4
MOLECULAR WEIGHT: 325.35846
SMILES: C1CCC(C(C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 33214-73-2
CAS Name: 3-(4-acetamido-3-nitrophenyl)-3-methylbutanoic acid
OPENEYE Name: 3-(4-acetamido-3-nitro-phenyl)-3-methyl-butanoic acid
IUPAC Name: 3-(4-acetamido-3-nitrophenyl)-3-methylbutanoic acid
SYSTEMATIC NAME: 3-(4-acetamido-3-nitro-phenyl)-3-methyl-butanoic acid
MOLECULAR FORMULA: C13H16N2O5
MOLECULAR WEIGHT: 280.27654
SMILES: CC(=O)NC1=C(C=C(C=C1)C(C)(C)CC(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 33214-44-7
CAS Name: 3-(3,4-dimethoxyphenyl)-3-methylbutanoic acid
OPENEYE Name: 3-(3,4-dimethoxyphenyl)-3-methyl-butanoic acid
IUPAC Name: 3-(3,4-dimethoxyphenyl)-3-methylbutanoic acid
SYSTEMATIC NAME: 3-(3,4-dimethoxyphenyl)-3-methyl-butanoic acid
MOLECULAR FORMULA: C13H18O4
MOLECULAR WEIGHT: 238.27962
SMILES: CC(C)(CC(=O)O)C1=CC(=C(C=C1)OC)OC
Structure:
CAS RN: 32454-27-6
CAS Name: 2-methyl-2-(3-methylphenyl)-1-propanol
OPENEYE Name: 2-methyl-2-(m-tolyl)propan-1-ol
IUPAC Name: 2-methyl-2-(3-methylphenyl)propan-1-ol
SYSTEMATIC NAME: 2-methyl-2-(3-methylphenyl)propan-1-ol
MOLECULAR FORMULA: C11H16O
MOLECULAR WEIGHT: 164.24414
SMILES: CC1=CC(=CC=C1)C(C)(C)CO
Structure:
CAS RN: 33214-57-2
CAS Name: 4-methyl-4-phenyl-1-pentanol
OPENEYE Name: 4-methyl-4-phenyl-pentan-1-ol
IUPAC Name: 4-methyl-4-phenylpentan-1-ol
SYSTEMATIC NAME: 4-methyl-4-phenyl-pentan-1-ol
MOLECULAR FORMULA: C12H18O
MOLECULAR WEIGHT: 178.27072
SMILES: CC(C)(CCCO)C1=CC=CC=C1
Structure:
CAS RN: 13556-55-3
CAS Name: 3,3-dimethyl-2,4-dihydro-1H-naphthalene
OPENEYE Name: 2,2-dimethyltetralin
IUPAC Name: 3,3-dimethyl-2,4-dihydro-1H-naphthalene
SYSTEMATIC NAME: 3,3-dimethyl-2,4-dihydro-1H-naphthalene
MOLECULAR FORMULA: C12H16
MOLECULAR WEIGHT: 160.25544
SMILES: CC1(CCC2=CC=CC=C2C1)C
Structure:
CAS RN: 7492-40-2
CAS Name: acetic acid 4-phenylbutyl ester
OPENEYE Name: 4-phenylbutyl acetate
IUPAC Name: 4-phenylbutyl acetate
SYSTEMATIC NAME: 4-phenylbutyl ethanoate
MOLECULAR FORMULA: C12H16O2
MOLECULAR WEIGHT: 192.25424
SMILES: CC(=O)OCCCCC1=CC=CC=C1
Structure:
CAS RN: 33214-48-1
CAS Name: 4-(3-methoxyphenyl)-3,3-dimethyl-1-butanol
OPENEYE Name: 4-(3-methoxyphenyl)-3,3-dimethyl-butan-1-ol
IUPAC Name: 4-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol
SYSTEMATIC NAME: 4-(3-methoxyphenyl)-3,3-dimethyl-butan-1-ol
MOLECULAR FORMULA: C13H20O2
MOLECULAR WEIGHT: 208.2967
SMILES: CC(C)(CCO)CC1=CC(=CC=C1)OC
Structure:
CAS RN: 33214-36-7
CAS Name: 3-(3-methoxyphenyl)-3-methylbutanoic acid
OPENEYE Name: 3-(3-methoxyphenyl)-3-methyl-butanoic acid
IUPAC Name: 3-(3-methoxyphenyl)-3-methylbutanoic acid
SYSTEMATIC NAME: 3-(3-methoxyphenyl)-3-methyl-butanoic acid
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: CC(C)(CC(=O)O)C1=CC(=CC=C1)OC
Structure:
CAS RN: 93141-01-6
CAS Name: 3,5-dinitrobenzoic acid (4-methoxyphenyl)methyl ester
OPENEYE Name: (4-methoxyphenyl)methyl 3,5-dinitrobenzoate
IUPAC Name: (4-methoxyphenyl)methyl 3,5-dinitrobenzoate
SYSTEMATIC NAME: (4-methoxyphenyl)methyl 3,5-dinitrobenzoate
MOLECULAR FORMULA: C15H12N2O7
MOLECULAR WEIGHT: 332.26498
SMILES: COC1=CC=C(C=C1)COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 76694-24-1
CAS Name: 4,4-diphenyl-3-buten-1-ol
OPENEYE Name: 4,4-diphenylbut-3-en-1-ol
IUPAC Name: 4,4-diphenylbut-3-en-1-ol
SYSTEMATIC NAME: 4,4-diphenylbut-3-en-1-ol
MOLECULAR FORMULA: C16H16O
MOLECULAR WEIGHT: 224.29764
SMILES: C1=CC=C(C=C1)C(=CCCO)C2=CC=CC=C2
Structure:
CAS RN: 39250-87-8
CAS Name: 3-methoxy-3-methyl-2-butanol
OPENEYE Name: 3-methoxy-3-methyl-butan-2-ol
IUPAC Name: 3-methoxy-3-methylbutan-2-ol
SYSTEMATIC NAME: 3-methoxy-3-methyl-butan-2-ol
MOLECULAR FORMULA: C6H14O2
MOLECULAR WEIGHT: 118.17416
SMILES: CC(C(C)(C)OC)O
Structure:
CAS RN: 41914-94-7
CAS Name: 4-bromobenzenesulfonic acid (2-chlorocyclohexyl) ester
OPENEYE Name: (2-chlorocyclohexyl) 4-bromobenzenesulfonate
IUPAC Name: (2-chlorocyclohexyl) 4-bromobenzenesulfonate
SYSTEMATIC NAME: (2-chloranylcyclohexyl) 4-bromanylbenzenesulfonate
MOLECULAR FORMULA: C12H14BrClO3S
MOLECULAR WEIGHT: 353.65976
SMILES: C1CCC(C(C1)OS(=O)(=O)C2=CC=C(C=C2)Br)Cl
Structure:
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