5-chloranyl-2-fluoranyl-3-methylsulfonyl-benzoic acid

Systemtic Name: 5-chloranyl-2-fluoranyl-3-methylsulfonyl-benzoic acid Openeye Name: 5-chloro-2-fluoro-3-methylsulfonyl-benzoic acid CAS Name: 5-chloro-2-fluoro-3-methylsulfonylbenzoic acid IUPAC Name: 5-chloro-2-fluoro-3-methylsulfonylbenzoic acid Traditional Name: 5-chloro-2-fluoro-3-mesyl-benzoic acid Formula: C8H6ClFO4S MolecularWeight: 252.647243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6ClFO4S/c1-15(13,14)6-3-4(9)2-5(7(6)10)8(11)12/h2-3H,1H3,(H,11,12)