3-[(2R)-3-oxidanyl-3-oxidanylidene-2-(sulfanylmethyl)propyl]benzoic acid

Systemtic Name: 3-[(2R)-3-oxidanyl-3-oxidanylidene-2-(sulfanylmethyl)propyl]benzoic acid Openeye Name: 3-[(2R)-3-hydroxy-3-oxo-2-(sulfanylmethyl)propyl]benzoic acid CAS Name: 3-[(2R)-3-hydroxy-2-(mercaptomethyl)-3-oxopropyl]benzoic acid IUPAC Name: 3-[(2R)-3-hydroxy-3-oxo-2-(sulfanylmethyl)propyl]benzoic acid Traditional Name: 3-[(2R)-3-hydroxy-3-keto-2-(mercaptomethyl)propyl]benzoic acid Formula: C11H12O4S MolecularWeight: 240.27558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC(CS)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C[C@@H](CS)C(=O)O)C(=O)O

InChI

InChI=1S/C11H12O4S/c12-10(13)8-3-1-2-7(4-8)5-9(6-16)11(14)15/h1-4,9,16H,5-6H2,(H,12,13)(H,14,15)/t9-/m0/s1