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

Systemtic Name: 3-heptyl-6-(4-methylphenyl)oxan-2-one Openeye Name: 3-heptyl-6-(p-tolyl)tetrahydropyran-2-one CAS Name: 3-heptyl-6-(4-methylphenyl)-2-oxanone IUPAC Name: 3-heptyl-6-(4-methylphenyl)oxan-2-one Traditional Name: 3-heptyl-6-(p-tolyl)tetrahydropyran-2-one Formula: C19H28O2 MolecularWeight: 288.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(OC1=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCC1CCC(OC1=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H28O2/c1-3-4-5-6-7-8-17-13-14-18(21-19(17)20)16-11-9-15(2)10-12-16/h9-12,17-18H,3-8,13-14H2,1-2H3