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

Systemtic Name: 6-(4-ethoxyphenyl)-3-octyl-oxan-2-one Openeye Name: 6-(4-ethoxyphenyl)-3-octyl-tetrahydropyran-2-one CAS Name: 6-(4-ethoxyphenyl)-3-octyl-2-oxanone IUPAC Name: 6-(4-ethoxyphenyl)-3-octyloxan-2-one Traditional Name: 3-octyl-6-p-phenetyl-tetrahydropyran-2-one Formula: C21H32O3 MolecularWeight: 332.47698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O3/c1-3-5-6-7-8-9-10-18-13-16-20(24-21(18)22)17-11-14-19(15-12-17)23-4-2/h11-12,14-15,18,20H,3-10,13,16H2,1-2H3