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

Systemtic Name: methyl 2-[3-acetamido-4-(trifluoromethylsulfonyloxy)phenyl]ethanoate Openeye Name: methyl 2-[3-acetamido-4-(trifluoromethylsulfonyloxy)phenyl]acetate CAS Name: 2-[3-acetamido-4-(trifluoromethylsulfonyloxy)phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-acetamido-4-(trifluoromethylsulfonyloxy)phenyl]acetate Traditional Name: 2-(3-acetamido-4-triflyloxy-phenyl)acetic acid methyl ester Formula: C12H12F3NO6S MolecularWeight: 355.28699

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)CC(=O)OC)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)CC(=O)OC)OS(=O)(=O)C(F)(F)F

InChI

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