3-methyl-5-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]cyclohexan-1-one

Systemtic Name: 3-methyl-5-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]cyclohexan-1-one Openeye Name: 3-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-5-methyl-cyclohexanone CAS Name: 3-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-5-methyl-1-cyclohexanone IUPAC Name: 3-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-5-methylcyclohexan-1-one Traditional Name: 3-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-5-methyl-cyclohexanone Formula: C22H34O2 MolecularWeight: 330.50416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CC(=O)C2)C)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CC(=O)C2)C)O

InChI

InChI=1S/C22H34O2/c1-5-6-7-8-11-22(3,4)18-9-10-20(21(24)15-18)17-12-16(2)13-19(23)14-17/h9-10,15-17,24H,5-8,11-14H2,1-4H3