13-[2-(carboxymethyloxy)phenyl]sulfanyltridecanoic acid

Systemtic Name: 13-[2-(carboxymethyloxy)phenyl]sulfanyltridecanoic acid Openeye Name: 13-[2-(carboxymethyloxy)phenyl]sulfanyltridecanoic acid CAS Name: 13-[[2-(carboxymethyloxy)phenyl]thio]tridecanoic acid IUPAC Name: 13-[2-(carboxymethyloxy)phenyl]sulfanyltridecanoic acid Traditional Name: 13-[[2-(carboxymethyloxy)phenyl]thio]tridecanoic acid Formula: C21H32O5S MolecularWeight: 396.54078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCC(=O)O)SCCCCCCCCCCCCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)OCC(=O)O)SCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C21H32O5S/c22-20(23)15-9-7-5-3-1-2-4-6-8-12-16-27-19-14-11-10-13-18(19)26-17-21(24)25/h10-11,13-14H,1-9,12,15-17H2,(H,22,23)(H,24,25)