3-fluoranyl-4-methyl-5-[2,2,2-tris(fluoranyl)ethylsulfamoyl]benzoic acid

Systemtic Name: 3-fluoranyl-4-methyl-5-[2,2,2-tris(fluoranyl)ethylsulfamoyl]benzoic acid Openeye Name: 3-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)benzoic acid CAS Name: 3-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)benzoic acid IUPAC Name: 3-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)benzoic acid Traditional Name: 3-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfamoyl)benzoic acid Formula: C10H9F4NO4S MolecularWeight: 315.241373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)NCC(F)(F)F)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)NCC(F)(F)F)C(=O)O)F

InChI

InChI=1S/C10H9F4NO4S/c1-5-7(11)2-6(9(16)17)3-8(5)20(18,19)15-4-10(12,13)14/h2-3,15H,4H2,1H3,(H,16,17)