6-(4-octylphenyl)-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-(4-octylphenyl)-6-oxidanylidene-hexanoic acid Openeye Name: 6-(4-octylphenyl)-6-oxo-hexanoic acid CAS Name: 6-(4-octylphenyl)-6-oxohexanoic acid IUPAC Name: 6-(4-octylphenyl)-6-oxohexanoic acid Traditional Name: 6-keto-6-(4-octylphenyl)hexanoic acid Formula: C20H30O3 MolecularWeight: 318.4504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)CCCCC(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)CCCCC(=O)O

InChI

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