3-(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-4-(sulfanylmethyl)benzoic acid

Systemtic Name: 3-(1-oxidanyl-1-oxidanylidene-propan-2-yl)oxy-4-(sulfanylmethyl)benzoic acid Openeye Name: 3-(2-hydroxy-1-methyl-2-oxo-ethoxy)-4-(sulfanylmethyl)benzoic acid CAS Name: 3-(1-hydroxy-1-oxopropan-2-yl)oxy-4-(mercaptomethyl)benzoic acid IUPAC Name: 3-(1-hydroxy-1-oxopropan-2-yl)oxy-4-(sulfanylmethyl)benzoic acid Traditional Name: 3-(2-hydroxy-2-keto-1-methyl-ethoxy)-4-(mercaptomethyl)benzoic acid Formula: C11H12O5S MolecularWeight: 256.27498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)OC1=C(C=CC(=C1)C(=O)O)CS

Isomeric SMILES

CC(C(=O)O)OC1=C(C=CC(=C1)C(=O)O)CS

InChI

InChI=1S/C11H12O5S/c1-6(10(12)13)16-9-4-7(11(14)15)2-3-8(9)5-17/h2-4,6,17H,5H2,1H3,(H,12,13)(H,14,15)