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

Systemtic Name: 8-(4-heptoxyphenyl)-8-oxidanylidene-octanoic acid Openeye Name: 8-(4-heptoxyphenyl)-8-oxo-octanoic acid CAS Name: 8-(4-heptoxyphenyl)-8-oxooctanoic acid IUPAC Name: 8-(4-heptoxyphenyl)-8-oxooctanoic acid Traditional Name: 8-(4-heptoxyphenyl)-8-keto-caprylic acid Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)CCCCCCC(=O)O

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)CCCCCCC(=O)O

InChI

InChI=1S/C21H32O4/c1-2-3-4-7-10-17-25-19-15-13-18(14-16-19)20(22)11-8-5-6-9-12-21(23)24/h13-16H,2-12,17H2,1H3,(H,23,24)