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

Systemtic Name: 6-(4-heptylphenyl)-3-propyl-oxan-2-one Openeye Name: 6-(4-heptylphenyl)-3-propyl-tetrahydropyran-2-one CAS Name: 6-(4-heptylphenyl)-3-propyl-2-oxanone IUPAC Name: 6-(4-heptylphenyl)-3-propyloxan-2-one Traditional Name: 6-(4-heptylphenyl)-3-propyl-tetrahydropyran-2-one Formula: C21H32O2 MolecularWeight: 316.47758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2CCC(C(=O)O2)CCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2CCC(C(=O)O2)CCC

InChI

InChI=1S/C21H32O2/c1-3-5-6-7-8-10-17-11-13-18(14-12-17)20-16-15-19(9-4-2)21(22)23-20/h11-14,19-20H,3-10,15-16H2,1-2H3