11-[2-(5-oxidanyl-5-oxidanylidene-pentyl)sulfanylphenoxy]undecanoic acid

Systemtic Name: 11-[2-(5-oxidanyl-5-oxidanylidene-pentyl)sulfanylphenoxy]undecanoic acid Openeye Name: 11-[2-(5-hydroxy-5-oxo-pentyl)sulfanylphenoxy]undecanoic acid CAS Name: 11-[2-[(5-hydroxy-5-oxopentyl)thio]phenoxy]undecanoic acid IUPAC Name: 11-[2-(5-hydroxy-5-oxopentyl)sulfanylphenoxy]undecanoic acid Traditional Name: 11-[2-[(5-hydroxy-5-keto-pentyl)thio]phenoxy]undecanoic acid Formula: C22H34O5S MolecularWeight: 410.56736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34O5S/c23-21(24)15-7-5-3-1-2-4-6-11-17-27-19-13-8-9-14-20(19)28-18-12-10-16-22(25)26/h8-9,13-14H,1-7,10-12,15-18H2,(H,23,24)(H,25,26)