2-[propyl(trifluoromethylsulfonyloxy)carbamoyl]benzoic acid

Systemtic Name: 2-[propyl(trifluoromethylsulfonyloxy)carbamoyl]benzoic acid Openeye Name: 2-[propyl(trifluoromethylsulfonyloxy)carbamoyl]benzoic acid CAS Name: 2-[oxo-[propyl(trifluoromethylsulfonyloxy)amino]methyl]benzoic acid IUPAC Name: 2-[propyl(trifluoromethylsulfonyloxy)carbamoyl]benzoic acid Traditional Name: 2-[propyl(triflyloxy)carbamoyl]benzoic acid Formula: C12H12F3NO6S MolecularWeight: 355.28699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)C1=CC=CC=C1C(=O)O)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCN(C(=O)C1=CC=CC=C1C(=O)O)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C12H12F3NO6S/c1-2-7-16(22-23(20,21)12(13,14)15)10(17)8-5-3-4-6-9(8)11(18)19/h3-6H,2,7H2,1H3,(H,18,19)