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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2CCC(C(=O)O2)CCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2CCC(C(=O)O2)CCCCCC

InChI

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