11-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenoxy]undecanoic acid

Systemtic Name: 11-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenoxy]undecanoic acid Openeye Name: 11-[2-(4-hydroxy-4-oxo-butyl)sulfanylphenoxy]undecanoic acid CAS Name: 11-[2-[(4-hydroxy-4-oxobutyl)thio]phenoxy]undecanoic acid IUPAC Name: 11-[2-(4-hydroxy-4-oxobutyl)sulfanylphenoxy]undecanoic acid Traditional Name: 11-[2-[(4-hydroxy-4-keto-butyl)thio]phenoxy]undecanoic acid Formula: C21H32O5S MolecularWeight: 396.54078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCCCCCCCCCCC(=O)O)SCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)OCCCCCCCCCCC(=O)O)SCCCC(=O)O

InChI

InChI=1S/C21H32O5S/c22-20(23)14-7-5-3-1-2-4-6-10-16-26-18-12-8-9-13-19(18)27-17-11-15-21(24)25/h8-9,12-13H,1-7,10-11,14-17H2,(H,22,23)(H,24,25)