3-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylbenzoic acid

Systemtic Name: 3-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanylbenzoic acid Openeye Name: 3-(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanylbenzoic acid CAS Name: 3-[(1-hydroxy-1-oxopropan-2-yl)thio]benzoic acid IUPAC Name: 3-(1-hydroxy-1-oxopropan-2-yl)sulfanylbenzoic acid Traditional Name: 3-[(2-hydroxy-2-keto-1-methyl-ethyl)thio]benzoic acid Formula: C10H10O4S MolecularWeight: 226.249

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CC(C(=O)O)SC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C10H10O4S/c1-6(9(11)12)15-8-4-2-3-7(5-8)10(13)14/h2-6H,1H3,(H,11,12)(H,13,14)