2-[1,3-bis(oxidanyl)propan-2-ylsulfanyl]benzoic acid

Systemtic Name: 2-[1,3-bis(oxidanyl)propan-2-ylsulfanyl]benzoic acid Openeye Name: 2-[2-hydroxy-1-(hydroxymethyl)ethyl]sulfanylbenzoic acid CAS Name: 2-(1,3-dihydroxypropan-2-ylthio)benzoic acid IUPAC Name: 2-(1,3-dihydroxypropan-2-ylsulfanyl)benzoic acid Traditional Name: 2-[(2-hydroxy-1-methylol-ethyl)thio]benzoic acid Formula: C10H12O4S MolecularWeight: 228.26488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O4S/c11-5-7(6-12)15-9-4-2-1-3-8(9)10(13)14/h1-4,7,11-12H,5-6H2,(H,13,14)