3-(2-carboxyethylsulfanyl)benzoic acid

Systemtic Name: 3-(2-carboxyethylsulfanyl)benzoic acid Openeye Name: 3-(2-carboxyethylsulfanyl)benzoic acid CAS Name: 3-(2-carboxyethylthio)benzoic acid IUPAC Name: 3-(2-carboxyethylsulfanyl)benzoic acid Traditional Name: 3-(2-carboxyethylthio)benzoic acid Formula: C10H10O4S MolecularWeight: 226.249

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10O4S/c11-9(12)4-5-15-8-3-1-2-7(6-8)10(13)14/h1-3,6H,4-5H2,(H,11,12)(H,13,14)