4-phenylazanyl-3-(trifluoromethyl)benzenediazonium; tris(fluoranyl)methanesulfonate

Systemtic Name: 4-phenylazanyl-3-(trifluoromethyl)benzenediazonium; tris(fluoranyl)methanesulfonate Openeye Name: 4-anilino-3-(trifluoromethyl)benzenediazonium; trifluoromethanesulfonate CAS Name: 4-anilino-3-(trifluoromethyl)benzenediazonium; trifluoromethanesulfonate IUPAC Name: 4-anilino-3-(trifluoromethyl)benzenediazonium; trifluoromethanesulfonate Traditional Name: 4-anilino-3-(trifluoromethyl)benzenediazonium triflate Formula: C14H9F6N3O3S MolecularWeight: 413.294979

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+]#N)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+]#N)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H9F3N3.CHF3O3S/c14-13(15,16)11-8-10(19-17)6-7-12(11)18-9-4-2-1-3-5-9;2-1(3,4)8(5,6)7/h1-8,18H;(H,5,6,7)/q+1;/p-1