2-chloranyl-2-(4-methylsulfonylphenyl)ethanoic acid

Systemtic Name: 2-chloranyl-2-(4-methylsulfonylphenyl)ethanoic acid Openeye Name: 2-chloro-2-(4-methylsulfonylphenyl)acetic acid CAS Name: 2-chloro-2-(4-methylsulfonylphenyl)acetic acid IUPAC Name: 2-chloro-2-(4-methylsulfonylphenyl)acetic acid Traditional Name: 2-chloro-2-(4-mesylphenyl)acetic acid Formula: C9H9ClO4S MolecularWeight: 248.68336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9ClO4S/c1-15(13,14)7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8H,1H3,(H,11,12)