2-(butan-2-ylcarbamoyl)-3-(trifluoromethylsulfonyloxy)benzoic acid

Systemtic Name: 2-(butan-2-ylcarbamoyl)-3-(trifluoromethylsulfonyloxy)benzoic acid Openeye Name: 2-(sec-butylcarbamoyl)-3-(trifluoromethylsulfonyloxy)benzoic acid CAS Name: 2-[(butan-2-ylamino)-oxomethyl]-3-(trifluoromethylsulfonyloxy)benzoic acid IUPAC Name: 2-(butan-2-ylcarbamoyl)-3-(trifluoromethylsulfonyloxy)benzoic acid Traditional Name: 2-(sec-butylcarbamoyl)-3-triflyloxy-benzoic acid Formula: C13H14F3NO6S MolecularWeight: 369.31357

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C=CC=C1OS(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

CCC(C)NC(=O)C1=C(C=CC=C1OS(=O)(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C13H14F3NO6S/c1-3-7(2)17-11(18)10-8(12(19)20)5-4-6-9(10)23-24(21,22)13(14,15)16/h4-7H,3H2,1-2H3,(H,17,18)(H,19,20)