[3-acetamido-4-(trifluoromethylsulfonyloxy)phenyl] propanoate

Systemtic Name: [3-acetamido-4-(trifluoromethylsulfonyloxy)phenyl] propanoate Openeye Name: [3-acetamido-4-(trifluoromethylsulfonyloxy)phenyl] propanoate CAS Name: propanoic acid [3-acetamido-4-(trifluoromethylsulfonyloxy)phenyl] ester IUPAC Name: [3-acetamido-4-(trifluoromethylsulfonyloxy)phenyl] propanoate Traditional Name: propionic acid (3-acetamido-4-triflyloxy-phenyl) ester Formula: C12H12F3NO6S MolecularWeight: 355.28699

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)NC(=O)C

Isomeric SMILES

CCC(=O)OC1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)NC(=O)C

InChI

InChI=1S/C12H12F3NO6S/c1-3-11(18)21-8-4-5-10(9(6-8)16-7(2)17)22-23(19,20)12(13,14)15/h4-6H,3H2,1-2H3,(H,16,17)