3-methyl-4-(trifluoromethylsulfonylamino)benzoic acid

Systemtic Name: 3-methyl-4-(trifluoromethylsulfonylamino)benzoic acid Openeye Name: 3-methyl-4-(trifluoromethylsulfonylamino)benzoic acid CAS Name: 3-methyl-4-(trifluoromethylsulfonylamino)benzoic acid IUPAC Name: 3-methyl-4-(trifluoromethylsulfonylamino)benzoic acid Traditional Name: 3-methyl-4-(triflylamino)benzoic acid Formula: C9H8F3NO4S MolecularWeight: 283.22433

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C9H8F3NO4S/c1-5-4-6(8(14)15)2-3-7(5)13-18(16,17)9(10,11)12/h2-4,13H,1H3,(H,14,15)