3-pentyl-6-(4-pentylphenyl)oxan-2-one

Systemtic Name: 3-pentyl-6-(4-pentylphenyl)oxan-2-one Openeye Name: 3-pentyl-6-(4-pentylphenyl)tetrahydropyran-2-one CAS Name: 3-pentyl-6-(4-pentylphenyl)-2-oxanone IUPAC Name: 3-pentyl-6-(4-pentylphenyl)oxan-2-one Traditional Name: 3-amyl-6-(4-amylphenyl)tetrahydropyran-2-one Formula: C21H32O2 MolecularWeight: 316.47758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(OC1=O)C2=CC=C(C=C2)CCCCC

Isomeric SMILES

CCCCCC1CCC(OC1=O)C2=CC=C(C=C2)CCCCC

InChI

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