8-(8-oxidanyl-8-oxidanylidene-octyl)sulfanyloctanoic acid

Systemtic Name: 8-(8-oxidanyl-8-oxidanylidene-octyl)sulfanyloctanoic acid Openeye Name: 8-(8-hydroxy-8-oxo-octyl)sulfanyloctanoic acid CAS Name: 8-[(8-hydroxy-8-oxooctyl)thio]octanoic acid IUPAC Name: 8-(8-hydroxy-8-oxooctyl)sulfanyloctanoic acid Traditional Name: 8-[(8-hydroxy-8-keto-octyl)thio]caprylic acid Formula: C16H30O4S MolecularWeight: 318.472

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCC(=O)O)CCCSCCCCCCCC(=O)O

Isomeric SMILES

C(CCCC(=O)O)CCCSCCCCCCCC(=O)O

InChI

InChI=1S/C16H30O4S/c17-15(18)11-7-3-1-5-9-13-21-14-10-6-2-4-8-12-16(19)20/h1-14H2,(H,17,18)(H,19,20)