3-(2-carboxy-4-sulfanyl-butyl)benzoic acid

Systemtic Name: 3-(2-carboxy-4-sulfanyl-butyl)benzoic acid Openeye Name: 3-(2-carboxy-4-sulfanyl-butyl)benzoic acid CAS Name: 3-(2-carboxy-4-mercaptobutyl)benzoic acid IUPAC Name: 3-(2-carboxy-4-sulfanylbutyl)benzoic acid Traditional Name: 3-(2-carboxy-4-mercapto-butyl)benzoic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC(CCS)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CC(CCS)C(=O)O)C(=O)O

InChI

InChI=1S/C12H14O4S/c13-11(14)9-3-1-2-8(6-9)7-10(4-5-17)12(15)16/h1-3,6,10,17H,4-5,7H2,(H,13,14)(H,15,16)