4-(2-oxidanyl-1-sulfanyl-ethyl)benzenesulfonic acid

Systemtic Name: 4-(2-oxidanyl-1-sulfanyl-ethyl)benzenesulfonic acid Openeye Name: 4-(2-hydroxy-1-sulfanyl-ethyl)benzenesulfonic acid CAS Name: 4-(2-hydroxy-1-mercaptoethyl)benzenesulfonic acid IUPAC Name: 4-(2-hydroxy-1-sulfanylethyl)benzenesulfonic acid Traditional Name: 4-(2-hydroxy-1-mercapto-ethyl)besylic acid Formula: C8H10O4S2 MolecularWeight: 234.2926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CO)S)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(CO)S)S(=O)(=O)O

InChI

InChI=1S/C8H10O4S2/c9-5-8(13)6-1-3-7(4-2-6)14(10,11)12/h1-4,8-9,13H,5H2,(H,10,11,12)