3-[(4-bromanyl-5-methoxy-2-oxidanyl-phenyl)methyl]-4,4-dimethyl-2-methylidene-cyclohexan-1-one

Systemtic Name: 3-[(4-bromanyl-5-methoxy-2-oxidanyl-phenyl)methyl]-4,4-dimethyl-2-methylidene-cyclohexan-1-one Openeye Name: 3-[(4-bromo-2-hydroxy-5-methoxy-phenyl)methyl]-4,4-dimethyl-2-methylene-cyclohexanone CAS Name: 3-[(4-bromo-2-hydroxy-5-methoxyphenyl)methyl]-4,4-dimethyl-2-methylene-1-cyclohexanone IUPAC Name: 3-[(4-bromo-2-hydroxy-5-methoxyphenyl)methyl]-4,4-dimethyl-2-methylidenecyclohexan-1-one Traditional Name: 3-(4-bromo-2-hydroxy-5-methoxy-benzyl)-4,4-dimethyl-2-methylene-cyclohexanone Formula: C17H21BrO3 MolecularWeight: 353.25084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C(=C)C1CC2=CC(=C(C=C2O)Br)OC)C

Isomeric SMILES

CC1(CCC(=O)C(=C)C1CC2=CC(=C(C=C2O)Br)OC)C

InChI

InChI=1S/C17H21BrO3/c1-10-12(17(2,3)6-5-14(10)19)7-11-8-16(21-4)13(18)9-15(11)20/h8-9,12,20H,1,5-7H2,2-4H3