8-(4-hexylphenyl)-8-oxidanylidene-octanoic acid

Systemtic Name: 8-(4-hexylphenyl)-8-oxidanylidene-octanoic acid Openeye Name: 8-(4-hexylphenyl)-8-oxo-octanoic acid CAS Name: 8-(4-hexylphenyl)-8-oxooctanoic acid IUPAC Name: 8-(4-hexylphenyl)-8-oxooctanoic acid Traditional Name: 8-(4-hexylphenyl)-8-keto-caprylic acid Formula: C20H30O3 MolecularWeight: 318.4504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)CCCCCCC(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)CCCCCCC(=O)O

InChI

InChI=1S/C20H30O3/c1-2-3-4-7-10-17-13-15-18(16-14-17)19(21)11-8-5-6-9-12-20(22)23/h13-16H,2-12H2,1H3,(H,22,23)