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

Systemtic Name: 3-heptyl-6-(4-pentylphenyl)oxan-2-one Openeye Name: 3-heptyl-6-(4-pentylphenyl)tetrahydropyran-2-one CAS Name: 3-heptyl-6-(4-pentylphenyl)-2-oxanone IUPAC Name: 3-heptyl-6-(4-pentylphenyl)oxan-2-one Traditional Name: 6-(4-amylphenyl)-3-heptyl-tetrahydropyran-2-one Formula: C23H36O2 MolecularWeight: 344.53074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36O2/c1-3-5-7-8-10-12-21-17-18-22(25-23(21)24)20-15-13-19(14-16-20)11-9-6-4-2/h13-16,21-22H,3-12,17-18H2,1-2H3