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

Systemtic Name: 3-heptyl-6-(4-octylphenyl)oxan-2-one Openeye Name: 3-heptyl-6-(4-octylphenyl)tetrahydropyran-2-one CAS Name: 3-heptyl-6-(4-octylphenyl)-2-oxanone IUPAC Name: 3-heptyl-6-(4-octylphenyl)oxan-2-one Traditional Name: 3-heptyl-6-(4-octylphenyl)tetrahydropyran-2-one Formula: C26H42O2 MolecularWeight: 386.61048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2CCC(C(=O)O2)CCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2CCC(C(=O)O2)CCCCCCC

InChI

InChI=1S/C26H42O2/c1-3-5-7-9-11-12-14-22-16-18-23(19-17-22)25-21-20-24(26(27)28-25)15-13-10-8-6-4-2/h16-19,24-25H,3-15,20-21H2,1-2H3