3-chloranyl-5-methylsulfonyl-4-[2,2,2-tris(fluoranyl)ethoxy]benzoic acid

Systemtic Name: 3-chloranyl-5-methylsulfonyl-4-[2,2,2-tris(fluoranyl)ethoxy]benzoic acid Openeye Name: 3-chloro-5-methylsulfonyl-4-(2,2,2-trifluoroethoxy)benzoic acid CAS Name: 3-chloro-5-methylsulfonyl-4-(2,2,2-trifluoroethoxy)benzoic acid IUPAC Name: 3-chloro-5-methylsulfonyl-4-(2,2,2-trifluoroethoxy)benzoic acid Traditional Name: 3-chloro-5-mesyl-4-(2,2,2-trifluoroethoxy)benzoic acid Formula: C10H8ClF3O5S MolecularWeight: 332.68073

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8ClF3O5S/c1-20(17,18)7-3-5(9(15)16)2-6(11)8(7)19-4-10(12,13)14/h2-3H,4H2,1H3,(H,15,16)