(2-nitropyridin-3-yl) 2-(trifluoromethyloxy)benzenesulfonate

Systemtic Name: (2-nitropyridin-3-yl) 2-(trifluoromethyloxy)benzenesulfonate Openeye Name: (2-nitro-3-pyridyl) 2-(trifluoromethoxy)benzenesulfonate CAS Name: 2-(trifluoromethoxy)benzenesulfonic acid (2-nitro-3-pyridinyl) ester IUPAC Name: (2-nitropyridin-3-yl) 2-(trifluoromethoxy)benzenesulfonate Traditional Name: 2-(trifluoromethoxy)benzenesulfonic acid (2-nitro-3-pyridyl) ester Formula: C12H7F3N2O6S MolecularWeight: 364.25399

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OC(F)(F)F)S(=O)(=O)OC2=C(N=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)OC(F)(F)F)S(=O)(=O)OC2=C(N=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H7F3N2O6S/c13-12(14,15)22-8-4-1-2-6-10(8)24(20,21)23-9-5-3-7-16-11(9)17(18)19/h1-7H