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

Systemtic Name: 4-chloranyl-2-fluoranyl-3-methylsulfonyl-benzoic acid Openeye Name: 4-chloro-2-fluoro-3-methylsulfonyl-benzoic acid CAS Name: 4-chloro-2-fluoro-3-methylsulfonylbenzoic acid IUPAC Name: 4-chloro-2-fluoro-3-methylsulfonylbenzoic acid Traditional Name: 4-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(=C1F)C(=O)O)Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1F)C(=O)O)Cl

InChI

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