11-[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]sulfanylundecanoic acid

Systemtic Name: 11-[2-(4-oxidanyl-4-oxidanylidene-butoxy)phenyl]sulfanylundecanoic acid Openeye Name: 11-[2-(4-hydroxy-4-oxo-butoxy)phenyl]sulfanylundecanoic acid CAS Name: 11-[[2-(4-hydroxy-4-oxobutoxy)phenyl]thio]undecanoic acid IUPAC Name: 11-[2-(4-hydroxy-4-oxobutoxy)phenyl]sulfanylundecanoic acid Traditional Name: 11-[[2-(4-hydroxy-4-keto-butoxy)phenyl]thio]undecanoic acid Formula: C21H32O5S MolecularWeight: 396.54078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCCCC(=O)O)SCCCCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)OCCCC(=O)O)SCCCCCCCCCCC(=O)O

InChI

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