2-(2-methylpropylcarbamoyl)-3-(trifluoromethylsulfonyloxy)benzoic acid

Systemtic Name: 2-(2-methylpropylcarbamoyl)-3-(trifluoromethylsulfonyloxy)benzoic acid Openeye Name: 2-(isobutylcarbamoyl)-3-(trifluoromethylsulfonyloxy)benzoic acid CAS Name: 2-[(2-methylpropylamino)-oxomethyl]-3-(trifluoromethylsulfonyloxy)benzoic acid IUPAC Name: 2-(2-methylpropylcarbamoyl)-3-(trifluoromethylsulfonyloxy)benzoic acid Traditional Name: 2-(isobutylcarbamoyl)-3-triflyloxy-benzoic acid Formula: C13H14F3NO6S MolecularWeight: 369.31357

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=C(C=CC=C1OS(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)C1=C(C=CC=C1OS(=O)(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C13H14F3NO6S/c1-7(2)6-17-11(18)10-8(12(19)20)4-3-5-9(10)23-24(21,22)13(14,15)16/h3-5,7H,6H2,1-2H3,(H,17,18)(H,19,20)