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

Systemtic Name: 3-heptyl-6-(4-hexylphenyl)oxan-2-one Openeye Name: 3-heptyl-6-(4-hexylphenyl)tetrahydropyran-2-one CAS Name: 3-heptyl-6-(4-hexylphenyl)-2-oxanone IUPAC Name: 3-heptyl-6-(4-hexylphenyl)oxan-2-one Traditional Name: 3-heptyl-6-(4-hexylphenyl)tetrahydropyran-2-one Formula: C24H38O2 MolecularWeight: 358.55732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38O2/c1-3-5-7-9-11-13-22-18-19-23(26-24(22)25)21-16-14-20(15-17-21)12-10-8-6-4-2/h14-17,22-23H,3-13,18-19H2,1-2H3