2-[1-(2-carboxyethylsulfanyl)propyl]benzoic acid

Systemtic Name: 2-[1-(2-carboxyethylsulfanyl)propyl]benzoic acid Openeye Name: 2-[1-(2-carboxyethylsulfanyl)propyl]benzoic acid CAS Name: 2-[1-(2-carboxyethylthio)propyl]benzoic acid IUPAC Name: 2-[1-(2-carboxyethylsulfanyl)propyl]benzoic acid Traditional Name: 2-[1-(2-carboxyethylthio)propyl]benzoic acid Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1C(=O)O)SCCC(=O)O

Isomeric SMILES

CCC(C1=CC=CC=C1C(=O)O)SCCC(=O)O

InChI

InChI=1S/C13H16O4S/c1-2-11(18-8-7-12(14)15)9-5-3-4-6-10(9)13(16)17/h3-6,11H,2,7-8H2,1H3,(H,14,15)(H,16,17)