5,6-dimethoxy-2-methyl-3-prop-2-ynyl-1,3-benzotellurazol-3-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 5,6-dimethoxy-2-methyl-3-prop-2-ynyl-1,3-benzotellurazol-3-ium; tris(fluoranyl)methanesulfonate Openeye Name: 5,6-dimethoxy-2-methyl-3-prop-2-ynyl-1,3-benzotellurazol-3-ium; trifluoromethanesulfonate CAS Name: 5,6-dimethoxy-2-methyl-3-prop-2-ynyl-1,3-benzotellurazol-3-ium; trifluoromethanesulfonate IUPAC Name: 5,6-dimethoxy-2-methyl-3-prop-2-ynyl-1,3-benzotellurazol-3-ium; trifluoromethanesulfonate Traditional Name: 5,6-dimethoxy-2-methyl-3-propargyl-1,3-benzotellurazol-3-ium triflate Formula: C14H14F3NO5STe MolecularWeight: 492.92487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC(=C(C=C2[Te]1)OC)OC)CC#C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=CC(=C(C=C2[Te]1)OC)OC)CC#C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H14NO2Te.CHF3O3S/c1-5-6-14-9(2)17-13-8-12(16-4)11(15-3)7-10(13)14;2-1(3,4)8(5,6)7/h1,7-8H,6H2,2-4H3;(H,5,6,7)/q+1;/p-1