6-(4-methylphenyl)-3-octyl-oxan-2-one

Systemtic Name: 6-(4-methylphenyl)-3-octyl-oxan-2-one Openeye Name: 3-octyl-6-(p-tolyl)tetrahydropyran-2-one CAS Name: 6-(4-methylphenyl)-3-octyl-2-oxanone IUPAC Name: 6-(4-methylphenyl)-3-octyloxan-2-one Traditional Name: 3-octyl-6-(p-tolyl)tetrahydropyran-2-one Formula: C20H30O2 MolecularWeight: 302.451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(OC1=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCC1CCC(OC1=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H30O2/c1-3-4-5-6-7-8-9-18-14-15-19(22-20(18)21)17-12-10-16(2)11-13-17/h10-13,18-19H,3-9,14-15H2,1-2H3