(3-nitrophenyl)-phenyl-(trifluoromethyl)sulfanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (3-nitrophenyl)-phenyl-(trifluoromethyl)sulfanium; tris(fluoranyl)methanesulfonate Openeye Name: (3-nitrophenyl)-phenyl-(trifluoromethyl)sulfonium; trifluoromethanesulfonate CAS Name: (3-nitrophenyl)-phenyl-(trifluoromethyl)sulfonium; trifluoromethanesulfonate IUPAC Name: (3-nitrophenyl)-phenyl-(trifluoromethyl)sulfanium; trifluoromethanesulfonate Traditional Name: (3-nitrophenyl)-phenyl-(trifluoromethyl)sulfonium triflate Formula: C14H9F6NO5S2 MolecularWeight: 449.345379

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9F3NO2S.CHF3O3S/c14-13(15,16)20(11-6-2-1-3-7-11)12-8-4-5-10(9-12)17(18)19;2-1(3,4)8(5,6)7/h1-9H;(H,5,6,7)/q+1;/p-1