2-chloranyl-4-fluoranyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-4-fluoranyl-5-methylsulfonyl-benzoic acid Openeye Name: 2-chloro-4-fluoro-5-methylsulfonyl-benzoic acid CAS Name: 2-chloro-4-fluoro-5-methylsulfonylbenzoic acid IUPAC Name: 2-chloro-4-fluoro-5-methylsulfonylbenzoic acid Traditional Name: 2-chloro-4-fluoro-5-mesyl-benzoic acid Formula: C8H6ClFO4S MolecularWeight: 252.647243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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