3-heptyl-6-(4-propylphenyl)oxan-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(OC1=O)C2=CC=C(C=C2)CCC

Isomeric SMILES

CCCCCCCC1CCC(OC1=O)C2=CC=C(C=C2)CCC

InChI

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