3-[5-(4-heptylphenyl)pentyl]oxan-2-one

Systemtic Name: 3-[5-(4-heptylphenyl)pentyl]oxan-2-one Openeye Name: 3-[5-(4-heptylphenyl)pentyl]tetrahydropyran-2-one CAS Name: 3-[5-(4-heptylphenyl)pentyl]-2-oxanone IUPAC Name: 3-[5-(4-heptylphenyl)pentyl]oxan-2-one Traditional Name: 3-[5-(4-heptylphenyl)pentyl]tetrahydropyran-2-one Formula: C23H36O2 MolecularWeight: 344.53074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)CCCCCC2CCCOC2=O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)CCCCCC2CCCOC2=O

InChI

InChI=1S/C23H36O2/c1-2-3-4-5-7-11-20-15-17-21(18-16-20)12-8-6-9-13-22-14-10-19-25-23(22)24/h15-18,22H,2-14,19H2,1H3