2-[butyl(trifluoromethylsulfonyloxy)carbamoyl]benzoic acid

Systemtic Name: 2-[butyl(trifluoromethylsulfonyloxy)carbamoyl]benzoic acid Openeye Name: 2-[butyl(trifluoromethylsulfonyloxy)carbamoyl]benzoic acid CAS Name: 2-[[butyl(trifluoromethylsulfonyloxy)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[butyl(trifluoromethylsulfonyloxy)carbamoyl]benzoic acid Traditional Name: 2-[butyl(triflyloxy)carbamoyl]benzoic acid Formula: C13H14F3NO6S MolecularWeight: 369.31357

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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