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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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