3-octyl-6-(4-octylphenyl)oxan-2-one

Systemtic Name: 3-octyl-6-(4-octylphenyl)oxan-2-one Openeye Name: 3-octyl-6-(4-octylphenyl)tetrahydropyran-2-one CAS Name: 3-octyl-6-(4-octylphenyl)-2-oxanone IUPAC Name: 3-octyl-6-(4-octylphenyl)oxan-2-one Traditional Name: 3-octyl-6-(4-octylphenyl)tetrahydropyran-2-one Formula: C27H44O2 MolecularWeight: 400.63706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CCC(OC1=O)C2=CC=C(C=C2)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1CCC(OC1=O)C2=CC=C(C=C2)CCCCCCCC

InChI

InChI=1S/C27H44O2/c1-3-5-7-9-11-13-15-23-17-19-24(20-18-23)26-22-21-25(27(28)29-26)16-14-12-10-8-6-4-2/h17-20,25-26H,3-16,21-22H2,1-2H3