2-methyl-4-nitro-benzenediazonium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-methyl-4-nitro-benzenediazonium; tris(fluoranyl)methanesulfonate Openeye Name: 2-methyl-4-nitro-benzenediazonium; trifluoromethanesulfonate CAS Name: 2-methyl-4-nitrobenzenediazonium; trifluoromethanesulfonate IUPAC Name: 2-methyl-4-nitrobenzenediazonium; trifluoromethanesulfonate Traditional Name: 2-methyl-4-nitro-benzenediazonium triflate Formula: C8H6F3N3O5S MolecularWeight: 313.21055

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6N3O2.CHF3O3S/c1-5-4-6(10(11)12)2-3-7(5)9-8;2-1(3,4)8(5,6)7/h2-4H,1H3;(H,5,6,7)/q+1;/p-1