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

Systemtic Name: 6-(4-hexylphenyl)-3-octyl-oxan-2-one Openeye Name: 6-(4-hexylphenyl)-3-octyl-tetrahydropyran-2-one CAS Name: 6-(4-hexylphenyl)-3-octyl-2-oxanone IUPAC Name: 6-(4-hexylphenyl)-3-octyloxan-2-one Traditional Name: 6-(4-hexylphenyl)-3-octyl-tetrahydropyran-2-one Formula: C25H40O2 MolecularWeight: 372.5839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40O2/c1-3-5-7-9-10-12-14-23-19-20-24(27-25(23)26)22-17-15-21(16-18-22)13-11-8-6-4-2/h15-18,23-24H,3-14,19-20H2,1-2H3