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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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