2,4-dimethyl-6-nitro-benzenediazonium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2,4-dimethyl-6-nitro-benzenediazonium; tris(fluoranyl)methanesulfonate Openeye Name: 2,4-dimethyl-6-nitro-benzenediazonium; trifluoromethanesulfonate CAS Name: 2,4-dimethyl-6-nitrobenzenediazonium; trifluoromethanesulfonate IUPAC Name: 2,4-dimethyl-6-nitrobenzenediazonium; trifluoromethanesulfonate Traditional Name: 2,4-dimethyl-6-nitro-benzenediazonium triflate Formula: C9H8F3N3O5S MolecularWeight: 327.23713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)[N+](=O)[O-])[N+]#N)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)[N+](=O)[O-])[N+]#N)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C8H8N3O2.CHF3O3S/c1-5-3-6(2)8(10-9)7(4-5)11(12)13;2-1(3,4)8(5,6)7/h3-4H,1-2H3;(H,5,6,7)/q+1;/p-1