methyl 2-acetamido-3-[2-(trifluoromethylsulfonyloxy)phenyl]propanoate

Systemtic Name: methyl 2-acetamido-3-[2-(trifluoromethylsulfonyloxy)phenyl]propanoate Openeye Name: methyl 2-acetamido-3-[2-(trifluoromethylsulfonyloxy)phenyl]propanoate CAS Name: 2-acetamido-3-[2-(trifluoromethylsulfonyloxy)phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-[2-(trifluoromethylsulfonyloxy)phenyl]propanoate Traditional Name: 2-acetamido-3-(2-triflyloxyphenyl)propionic acid methyl ester Formula: C13H14F3NO6S MolecularWeight: 369.31357

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1OS(=O)(=O)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC(=O)NC(CC1=CC=CC=C1OS(=O)(=O)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C13H14F3NO6S/c1-8(18)17-10(12(19)22-2)7-9-5-3-4-6-11(9)23-24(20,21)13(14,15)16/h3-6,10H,7H2,1-2H3,(H,17,18)