1-methoxy-5-nitro-quinolin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-methoxy-5-nitro-quinolin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-methoxy-5-nitro-quinolin-1-ium; trifluoromethanesulfonate CAS Name: 1-methoxy-5-nitroquinolin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-methoxy-5-nitroquinolin-1-ium; trifluoromethanesulfonate Traditional Name: 1-methoxy-5-nitro-quinolin-1-ium triflate Formula: C11H9F3N2O6S MolecularWeight: 354.25917

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Descriptors Computed from Structure

Canonical SMILES:

CO[N+]1=CC=CC2=C1C=CC=C2[N+](=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CO[N+]1=CC=CC2=C1C=CC=C2[N+](=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C10H9N2O3.CHF3O3S/c1-15-11-7-3-4-8-9(11)5-2-6-10(8)12(13)14;2-1(3,4)8(5,6)7/h2-7H,1H3;(H,5,6,7)/q+1;/p-1