3-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]cycloheptan-1-one

Systemtic Name: 3-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]cycloheptan-1-one Openeye Name: 3-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]cycloheptanone CAS Name: 3-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-1-cycloheptanone IUPAC Name: 3-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]cycloheptan-1-one Traditional Name: 3-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]cycloheptanone 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)C2CCCCC(=O)C2)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCCC(=O)C2)O

InChI

InChI=1S/C22H34O2/c1-4-5-6-9-14-22(2,3)18-12-13-20(21(24)16-18)17-10-7-8-11-19(23)15-17/h12-13,16-17,24H,4-11,14-15H2,1-3H3