2-(3-methylsulfonylphenyl)-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-(3-methylsulfonylphenyl)-2-oxidanylidene-ethanoic acid Openeye Name: 2-(3-methylsulfonylphenyl)-2-oxo-acetic acid CAS Name: 2-(3-methylsulfonylphenyl)-2-oxoacetic acid IUPAC Name: 2-(3-methylsulfonylphenyl)-2-oxoacetic acid Traditional Name: 2-keto-2-(3-mesylphenyl)acetic acid Formula: C9H8O5S MolecularWeight: 228.22182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8O5S/c1-15(13,14)7-4-2-3-6(5-7)8(10)9(11)12/h2-5H,1H3,(H,11,12)