9-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenoxy]nonanoic acid

Systemtic Name: 9-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenoxy]nonanoic acid Openeye Name: 9-[2-(4-hydroxy-4-oxo-butyl)sulfanylphenoxy]nonanoic acid CAS Name: 9-[2-[(4-hydroxy-4-oxobutyl)thio]phenoxy]nonanoic acid IUPAC Name: 9-[2-(4-hydroxy-4-oxobutyl)sulfanylphenoxy]nonanoic acid Traditional Name: 9-[2-[(4-hydroxy-4-keto-butyl)thio]phenoxy]pelargonic acid Formula: C19H28O5S MolecularWeight: 368.48762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28O5S/c20-18(21)12-5-3-1-2-4-8-14-24-16-10-6-7-11-17(16)25-15-9-13-19(22)23/h6-7,10-11H,1-5,8-9,12-15H2,(H,20,21)(H,22,23)