2-(3-chloranyl-4-methylsulfonyl-phenyl)-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-(3-chloranyl-4-methylsulfonyl-phenyl)-2-oxidanylidene-ethanoic acid Openeye Name: 2-(3-chloro-4-methylsulfonyl-phenyl)-2-oxo-acetic acid CAS Name: 2-(3-chloro-4-methylsulfonylphenyl)-2-oxoacetic acid IUPAC Name: 2-(3-chloro-4-methylsulfonylphenyl)-2-oxoacetic acid Traditional Name: 2-(3-chloro-4-mesyl-phenyl)-2-keto-acetic acid Formula: C9H7ClO5S MolecularWeight: 262.66688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7ClO5S/c1-16(14,15)7-3-2-5(4-6(7)10)8(11)9(12)13/h2-4H,1H3,(H,12,13)