methyl 5-nitro-2-(trifluoromethylsulfonyloxy)benzoate

Systemtic Name: methyl 5-nitro-2-(trifluoromethylsulfonyloxy)benzoate Openeye Name: methyl 5-nitro-2-(trifluoromethylsulfonyloxy)benzoate CAS Name: 5-nitro-2-(trifluoromethylsulfonyloxy)benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-(trifluoromethylsulfonyloxy)benzoate Traditional Name: 5-nitro-2-triflyloxy-benzoic acid methyl ester Formula: C9H6F3NO7S MolecularWeight: 329.20665

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C9H6F3NO7S/c1-19-8(14)6-4-5(13(15)16)2-3-7(6)20-21(17,18)9(10,11)12/h2-4H,1H3