9-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]sulfanylnonanoic acid

Systemtic Name: 9-[2-(4-oxidanyl-4-oxidanylidene-butyl)sulfanylphenyl]sulfanylnonanoic acid Openeye Name: 9-[2-(4-hydroxy-4-oxo-butyl)sulfanylphenyl]sulfanylnonanoic acid CAS Name: 9-[[2-[(4-hydroxy-4-oxobutyl)thio]phenyl]thio]nonanoic acid IUPAC Name: 9-[2-(4-hydroxy-4-oxobutyl)sulfanylphenyl]sulfanylnonanoic acid Traditional Name: 9-[[2-[(4-hydroxy-4-keto-butyl)thio]phenyl]thio]pelargonic acid Formula: C19H28O4S2 MolecularWeight: 384.55322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28O4S2/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)