(2-chloranyl-4-nitro-phenyl)-trimethyl-azanium; tris(fluoranyl)methanesulfonate

Systemtic Name: (2-chloranyl-4-nitro-phenyl)-trimethyl-azanium; tris(fluoranyl)methanesulfonate Openeye Name: (2-chloro-4-nitro-phenyl)-trimethyl-ammonium; trifluoromethanesulfonate CAS Name: (2-chloro-4-nitrophenyl)-trimethylammonium; trifluoromethanesulfonate IUPAC Name: (2-chloro-4-nitrophenyl)-trimethylazanium; trifluoromethanesulfonate Traditional Name: (2-chloro-4-nitro-phenyl)-trimethyl-ammonium triflate Formula: C10H12ClF3N2O5S MolecularWeight: 364.72589

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=C(C=C(C=C1)[N+](=O)[O-])Cl.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)C1=C(C=C(C=C1)[N+](=O)[O-])Cl.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C9H12ClN2O2.CHF3O3S/c1-12(2,3)9-5-4-7(11(13)14)6-8(9)10;2-1(3,4)8(5,6)7/h4-6H,1-3H3;(H,5,6,7)/q+1;/p-1