13-[2-(1-oxidanyl-1-oxidanylidene-pentan-3-yl)sulfanylphenoxy]tridecanoic acid

Systemtic Name: 13-[2-(1-oxidanyl-1-oxidanylidene-pentan-3-yl)sulfanylphenoxy]tridecanoic acid Openeye Name: 13-[2-(1-ethyl-3-hydroxy-3-oxo-propyl)sulfanylphenoxy]tridecanoic acid CAS Name: 13-[2-[(1-hydroxy-1-oxopentan-3-yl)thio]phenoxy]tridecanoic acid IUPAC Name: 13-[2-(1-hydroxy-1-oxopentan-3-yl)sulfanylphenoxy]tridecanoic acid Traditional Name: 13-[2-[(1-ethyl-3-hydroxy-3-keto-propyl)thio]phenoxy]tridecanoic acid Formula: C24H38O5S MolecularWeight: 438.62052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)O)SC1=CC=CC=C1OCCCCCCCCCCCCC(=O)O

Isomeric SMILES

CCC(CC(=O)O)SC1=CC=CC=C1OCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C24H38O5S/c1-2-20(19-24(27)28)30-22-16-13-12-15-21(22)29-18-14-10-8-6-4-3-5-7-9-11-17-23(25)26/h12-13,15-16,20H,2-11,14,17-19H2,1H3,(H,25,26)(H,27,28)