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

Systemtic Name: 6-(4-butylphenyl)-3-heptyl-oxan-2-one Openeye Name: 6-(4-butylphenyl)-3-heptyl-tetrahydropyran-2-one CAS Name: 6-(4-butylphenyl)-3-heptyl-2-oxanone IUPAC Name: 6-(4-butylphenyl)-3-heptyloxan-2-one Traditional Name: 6-(4-butylphenyl)-3-heptyl-tetrahydropyran-2-one Formula: C22H34O2 MolecularWeight: 330.50416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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