3-[4-(4-hexylphenyl)butyl]oxan-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)CCCCC2CCCOC2=O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)CCCCC2CCCOC2=O

InChI

InChI=1S/C21H32O2/c1-2-3-4-5-9-18-13-15-19(16-14-18)10-6-7-11-20-12-8-17-23-21(20)22/h13-16,20H,2-12,17H2,1H3