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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(OC1=O)C2=CC=C(C=C2)CCCC

Isomeric SMILES

CCCCCCC1CCC(OC1=O)C2=CC=C(C=C2)CCCC

InChI

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