4-methyl-1-(4-methylphenyl)sulfonyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 4-methyl-1-(4-methylphenyl)sulfonyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 4-methyl-1-(p-tolylsulfonyl)pyridin-1-ium; trifluoromethanesulfonate CAS Name: 4-methyl-1-(4-methylphenyl)sulfonylpyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 4-methyl-1-(4-methylphenyl)sulfonylpyridin-1-ium; trifluoromethanesulfonate Traditional Name: 4-methyl-1-tosyl-pyridin-1-ium triflate Formula: C14H14F3NO5S2 MolecularWeight: 397.38987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N+]2=CC=C(C=C2)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N+]2=CC=C(C=C2)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H14NO2S.CHF3O3S/c1-11-3-5-13(6-4-11)17(15,16)14-9-7-12(2)8-10-14;2-1(3,4)8(5,6)7/h3-10H,1-2H3;(H,5,6,7)/q+1;/p-1