methyl 2-acetamido-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate

Systemtic Name: methyl 2-acetamido-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Openeye Name: methyl 2-acetamido-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate CAS Name: 2-acetamido-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoate Traditional Name: 2-acetamido-3-(4-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=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)C(F)(F)F)C(=O)OC

InChI

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