2,4,6-triphenyl-3H-1,2,4,5-tetrazin-2-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2,4,6-triphenyl-3H-1,2,4,5-tetrazin-2-ium; tris(fluoranyl)methanesulfonate Openeye Name: trifluoromethanesulfonate; 2,4,6-triphenyl-3H-1,2,4,5-tetrazin-2-ium CAS Name: trifluoromethanesulfonate; 2,4,6-triphenyl-3H-1,2,4,5-tetrazin-2-ium IUPAC Name: trifluoromethanesulfonate; 2,4,6-triphenyl-3H-1,2,4,5-tetrazin-2-ium Traditional Name: 2,4,6-triphenyl-3H-1,2,4,5-tetrazin-2-ium triflate Formula: C21H17F3N4O3S MolecularWeight: 462.44489

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Descriptors Computed from Structure

Canonical SMILES:

C1N(N=C(N=[N+]1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1N(N=C(N=[N+]1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C20H17N4.CHF3O3S/c1-4-10-17(11-5-1)20-21-23(18-12-6-2-7-13-18)16-24(22-20)19-14-8-3-9-15-19;2-1(3,4)8(5,6)7/h1-15H,16H2;(H,5,6,7)/q+1;/p-1