2-(2-phenylethynyl)-1-prop-2-ynyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-(2-phenylethynyl)-1-prop-2-ynyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2-(2-phenylethynyl)-1-prop-2-ynyl-pyridin-1-ium; trifluoromethanesulfonate CAS Name: 2-(2-phenylethynyl)-1-prop-2-ynylpyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 2-(2-phenylethynyl)-1-prop-2-ynylpyridin-1-ium; trifluoromethanesulfonate Traditional Name: 2-(2-phenylethynyl)-1-propargyl-pyridin-1-ium ditriflate Formula: C18H12F6NO6S2- MolecularWeight: 516.411399

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N.2CHF3O3S/c1-2-13-17-14-7-6-10-16(17)12-11-15-8-4-3-5-9-15;2*2-1(3,4)8(5,6)7/h1,3-10,14H,13H2;2*(H,5,6,7)/q+1;;/p-2