3,4-bis(chloranyl)-5-methylsulfonyl-benzoic acid

Systemtic Name: 3,4-bis(chloranyl)-5-methylsulfonyl-benzoic acid Openeye Name: 3,4-dichloro-5-methylsulfonyl-benzoic acid CAS Name: 3,4-dichloro-5-methylsulfonylbenzoic acid IUPAC Name: 3,4-dichloro-5-methylsulfonylbenzoic acid Traditional Name: 3,4-dichloro-5-mesyl-benzoic acid Formula: C8H6Cl2O4S MolecularWeight: 269.10184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6Cl2O4S/c1-15(13,14)6-3-4(8(11)12)2-5(9)7(6)10/h2-3H,1H3,(H,11,12)