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

Systemtic Name: 6-(4-octylphenyl)-3-propyl-oxan-2-one Openeye Name: 6-(4-octylphenyl)-3-propyl-tetrahydropyran-2-one CAS Name: 6-(4-octylphenyl)-3-propyl-2-oxanone IUPAC Name: 6-(4-octylphenyl)-3-propyloxan-2-one Traditional Name: 6-(4-octylphenyl)-3-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(C(=O)O2)CCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2CCC(C(=O)O2)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)22(23)24-21/h12-15,20-21H,3-11,16-17H2,1-2H3