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

Systemtic Name: 6-(4-octylphenyl)-3-pentyl-oxan-2-one Openeye Name: 6-(4-octylphenyl)-3-pentyl-tetrahydropyran-2-one CAS Name: 6-(4-octylphenyl)-3-pentyl-2-oxanone IUPAC Name: 6-(4-octylphenyl)-3-pentyloxan-2-one Traditional Name: 3-amyl-6-(4-octylphenyl)tetrahydropyran-2-one Formula: C24H38O2 MolecularWeight: 358.55732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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