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

Systemtic Name: 3-(4-octylphenyl)-6-propyl-oxan-2-one Openeye Name: 3-(4-octylphenyl)-6-propyl-tetrahydropyran-2-one CAS Name: 3-(4-octylphenyl)-6-propyl-2-oxanone IUPAC Name: 3-(4-octylphenyl)-6-propyloxan-2-one Traditional Name: 3-(4-octylphenyl)-6-propyl-tetrahydropyran-2-one Formula: C22H34O2 MolecularWeight: 330.50416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2CCC(OC2=O)CCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2CCC(OC2=O)CCC

InChI

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