4-(4-oxidanyl-4-oxidanylidene-butan-2-yl)sulfanylbenzoic acid

Systemtic Name: 4-(4-oxidanyl-4-oxidanylidene-butan-2-yl)sulfanylbenzoic acid Openeye Name: 4-(3-hydroxy-1-methyl-3-oxo-propyl)sulfanylbenzoic acid CAS Name: 4-[(4-hydroxy-4-oxobutan-2-yl)thio]benzoic acid IUPAC Name: 4-(4-hydroxy-4-oxobutan-2-yl)sulfanylbenzoic acid Traditional Name: 4-[(3-hydroxy-3-keto-1-methyl-propyl)thio]benzoic acid Formula: C11H12O4S MolecularWeight: 240.27558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O4S/c1-7(6-10(12)13)16-9-4-2-8(3-5-9)11(14)15/h2-5,7H,6H2,1H3,(H,12,13)(H,14,15)