3-(2-oxidanyl-1-sulfanyl-ethyl)benzoic acid

Systemtic Name: 3-(2-oxidanyl-1-sulfanyl-ethyl)benzoic acid Openeye Name: 3-(2-hydroxy-1-sulfanyl-ethyl)benzoic acid CAS Name: 3-(2-hydroxy-1-mercaptoethyl)benzoic acid IUPAC Name: 3-(2-hydroxy-1-sulfanylethyl)benzoic acid Traditional Name: 3-(2-hydroxy-1-mercapto-ethyl)benzoic acid Formula: C9H10O3S MolecularWeight: 198.2389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(CO)S)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(CO)S)C(=O)O

InChI

InChI=1S/C9H10O3S/c10-5-8(13)6-2-1-3-7(4-6)9(11)12/h1-4,8,10,13H,5H2,(H,11,12)