ethyl 2-(2-methyl-1,3-benzotellurazol-3-ium-3-yl)ethanoate; tris(fluoranyl)methanesulfonate

Systemtic Name: ethyl 2-(2-methyl-1,3-benzotellurazol-3-ium-3-yl)ethanoate; tris(fluoranyl)methanesulfonate Openeye Name: ethyl 2-(2-methyl-1,3-benzotellurazol-3-ium-3-yl)acetate; trifluoromethanesulfonate CAS Name: 2-(2-methyl-1,3-benzotellurazol-3-ium-3-yl)acetic acid ethyl ester; trifluoromethanesulfonate IUPAC Name: ethyl 2-(2-methyl-1,3-benzotellurazol-3-ium-3-yl)acetate; trifluoromethanesulfonate Traditional Name: 2-(2-methyl-1,3-benzotellurazol-3-ium-3-yl)acetic acid ethyl ester triflate Formula: C13H14F3NO5STe MolecularWeight: 480.91417

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C([Te]C2=CC=CC=C21)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C[N+]1=C([Te]C2=CC=CC=C21)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H14NO2Te.CHF3O3S/c1-3-15-12(14)8-13-9(2)16-11-7-5-4-6-10(11)13;2-1(3,4)8(5,6)7/h4-7H,3,8H2,1-2H3;(H,5,6,7)/q+1;/p-1