4-chloranyl-2-(4-oxidanyl-4-oxidanylidene-butan-2-yl)sulfanyl-benzoic acid

Systemtic Name: 4-chloranyl-2-(4-oxidanyl-4-oxidanylidene-butan-2-yl)sulfanyl-benzoic acid Openeye Name: 4-chloro-2-(3-hydroxy-1-methyl-3-oxo-propyl)sulfanyl-benzoic acid CAS Name: 4-chloro-2-[(4-hydroxy-4-oxobutan-2-yl)thio]benzoic acid IUPAC Name: 4-chloro-2-(4-hydroxy-4-oxobutan-2-yl)sulfanylbenzoic acid Traditional Name: 4-chloro-2-[(3-hydroxy-3-keto-1-methyl-propyl)thio]benzoic acid Formula: C11H11ClO4S MolecularWeight: 274.72064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11ClO4S/c1-6(4-10(13)14)17-9-5-7(12)2-3-8(9)11(15)16/h2-3,5-6H,4H2,1H3,(H,13,14)(H,15,16)