13-[2-(2-carboxyethylsulfanyl)phenoxy]tridecanoic acid

Systemtic Name: 13-[2-(2-carboxyethylsulfanyl)phenoxy]tridecanoic acid Openeye Name: 13-[2-(2-carboxyethylsulfanyl)phenoxy]tridecanoic acid CAS Name: 13-[2-(2-carboxyethylthio)phenoxy]tridecanoic acid IUPAC Name: 13-[2-(2-carboxyethylsulfanyl)phenoxy]tridecanoic acid Traditional Name: 13-[2-(2-carboxyethylthio)phenoxy]tridecanoic acid Formula: C22H34O5S MolecularWeight: 410.56736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34O5S/c23-21(24)15-9-7-5-3-1-2-4-6-8-12-17-27-19-13-10-11-14-20(19)28-18-16-22(25)26/h10-11,13-14H,1-9,12,15-18H2,(H,23,24)(H,25,26)