3-[2-carboxyethylsulfanyl-[2-(9-oxidanylnonoxy)phenyl]methyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-carboxyethylsulfanyl-[2-(9-oxidanylnonoxy)phenyl]methyl]sulfanylpropanoic acid Openeye Name: 3-[2-carboxyethylsulfanyl-[2-(9-hydroxynonoxy)phenyl]methyl]sulfanylpropanoic acid CAS Name: 3-[[(2-carboxyethylthio)-[2-(9-hydroxynonoxy)phenyl]methyl]thio]propanoic acid IUPAC Name: 3-[2-carboxyethylsulfanyl-[2-(9-hydroxynonoxy)phenyl]methyl]sulfanylpropanoic acid Traditional Name: 3-[[(2-carboxyethylthio)-[2-(9-hydroxynonoxy)phenyl]methyl]thio]propionic acid Formula: C22H34O6S2 MolecularWeight: 458.63176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(SCCC(=O)O)SCCC(=O)O)OCCCCCCCCCO

Isomeric SMILES

C1=CC=C(C(=C1)C(SCCC(=O)O)SCCC(=O)O)OCCCCCCCCCO

InChI

InChI=1S/C22H34O6S2/c23-14-8-4-2-1-3-5-9-15-28-19-11-7-6-10-18(19)22(29-16-12-20(24)25)30-17-13-21(26)27/h6-7,10-11,22-23H,1-5,8-9,12-17H2,(H,24,25)(H,26,27)