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

Systemtic Name: 6-(4-hexylphenyl)-3-pentyl-oxan-2-one Openeye Name: 6-(4-hexylphenyl)-3-pentyl-tetrahydropyran-2-one CAS Name: 6-(4-hexylphenyl)-3-pentyl-2-oxanone IUPAC Name: 6-(4-hexylphenyl)-3-pentyloxan-2-one Traditional Name: 3-amyl-6-(4-hexylphenyl)tetrahydropyran-2-one Formula: C22H34O2 MolecularWeight: 330.50416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2CCC(C(=O)O2)CCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2CCC(C(=O)O2)CCCCC

InChI

InChI=1S/C22H34O2/c1-3-5-7-9-10-18-12-14-19(15-13-18)21-17-16-20(22(23)24-21)11-8-6-4-2/h12-15,20-21H,3-11,16-17H2,1-2H3