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

Systemtic Name: 6-(4-ethylphenyl)-3-octyl-oxan-2-one Openeye Name: 6-(4-ethylphenyl)-3-octyl-tetrahydropyran-2-one CAS Name: 6-(4-ethylphenyl)-3-octyl-2-oxanone IUPAC Name: 6-(4-ethylphenyl)-3-octyloxan-2-one Traditional Name: 6-(4-ethylphenyl)-3-octyl-tetrahydropyran-2-one Formula: C21H32O2 MolecularWeight: 316.47758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O2/c1-3-5-6-7-8-9-10-19-15-16-20(23-21(19)22)18-13-11-17(4-2)12-14-18/h11-14,19-20H,3-10,15-16H2,1-2H3