10-[2-(5-oxidanyl-5-oxidanylidene-pentyl)sulfanylphenoxy]decanoic acid

Systemtic Name: 10-[2-(5-oxidanyl-5-oxidanylidene-pentyl)sulfanylphenoxy]decanoic acid Openeye Name: 10-[2-(5-hydroxy-5-oxo-pentyl)sulfanylphenoxy]decanoic acid CAS Name: 10-[2-[(5-hydroxy-5-oxopentyl)thio]phenoxy]decanoic acid IUPAC Name: 10-[2-(5-hydroxy-5-oxopentyl)sulfanylphenoxy]decanoic acid Traditional Name: 10-[2-[(5-hydroxy-5-keto-pentyl)thio]phenoxy]capric acid Formula: C21H32O5S MolecularWeight: 396.54078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCCCCCCCCCC(=O)O)SCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)OCCCCCCCCCC(=O)O)SCCCCC(=O)O

InChI

InChI=1S/C21H32O5S/c22-20(23)14-6-4-2-1-3-5-10-16-26-18-12-7-8-13-19(18)27-17-11-9-15-21(24)25/h7-8,12-13H,1-6,9-11,14-17H2,(H,22,23)(H,24,25)