12-[2-(2-carboxyethylsulfanyl)phenoxy]dodecanoic acid

Systemtic Name: 12-[2-(2-carboxyethylsulfanyl)phenoxy]dodecanoic acid Openeye Name: 12-[2-(2-carboxyethylsulfanyl)phenoxy]dodecanoic acid CAS Name: 12-[2-(2-carboxyethylthio)phenoxy]dodecanoic acid IUPAC Name: 12-[2-(2-carboxyethylsulfanyl)phenoxy]dodecanoic acid Traditional Name: 12-[2-(2-carboxyethylthio)phenoxy]lauric acid Formula: C21H32O5S MolecularWeight: 396.54078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O5S/c22-20(23)14-8-6-4-2-1-3-5-7-11-16-26-18-12-9-10-13-19(18)27-17-15-21(24)25/h9-10,12-13H,1-8,11,14-17H2,(H,22,23)(H,24,25)