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

Systemtic Name: 2-(propan-2-ylcarbamoyl)-3-(trifluoromethylsulfonyloxy)benzoic acid Openeye Name: 2-(isopropylcarbamoyl)-3-(trifluoromethylsulfonyloxy)benzoic acid CAS Name: 2-[oxo-(propan-2-ylamino)methyl]-3-(trifluoromethylsulfonyloxy)benzoic acid IUPAC Name: 2-(propan-2-ylcarbamoyl)-3-(trifluoromethylsulfonyloxy)benzoic acid Traditional Name: 2-(isopropylcarbamoyl)-3-triflyloxy-benzoic acid Formula: C12H12F3NO6S MolecularWeight: 355.28699

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12F3NO6S/c1-6(2)16-10(17)9-7(11(18)19)4-3-5-8(9)22-23(20,21)12(13,14)15/h3-6H,1-2H3,(H,16,17)(H,18,19)