2-[2-(carboxymethyloxy)phenyl]sulfanylundecanoic acid

Systemtic Name: 2-[2-(carboxymethyloxy)phenyl]sulfanylundecanoic acid Openeye Name: 2-[2-(carboxymethyloxy)phenyl]sulfanylundecanoic acid CAS Name: 2-[[2-(carboxymethyloxy)phenyl]thio]undecanoic acid IUPAC Name: 2-[2-(carboxymethyloxy)phenyl]sulfanylundecanoic acid Traditional Name: 2-[[2-(carboxymethyloxy)phenyl]thio]undecanoic acid Formula: C19H28O5S MolecularWeight: 368.48762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C(=O)O)SC1=CC=CC=C1OCC(=O)O

Isomeric SMILES

CCCCCCCCCC(C(=O)O)SC1=CC=CC=C1OCC(=O)O

InChI

InChI=1S/C19H28O5S/c1-2-3-4-5-6-7-8-13-17(19(22)23)25-16-12-10-9-11-15(16)24-14-18(20)21/h9-12,17H,2-8,13-14H2,1H3,(H,20,21)(H,22,23)