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

Systemtic Name: 5,6-dimethoxy-2-methyl-3-(phenylmethyl)-1,3-benzotellurazol-3-ium; tris(fluoranyl)methanesulfonate Openeye Name: 3-benzyl-5,6-dimethoxy-2-methyl-1,3-benzotellurazol-3-ium; trifluoromethanesulfonate CAS Name: 5,6-dimethoxy-2-methyl-3-(phenylmethyl)-1,3-benzotellurazol-3-ium; trifluoromethanesulfonate IUPAC Name: 3-benzyl-5,6-dimethoxy-2-methyl-1,3-benzotellurazol-3-ium; trifluoromethanesulfonate Traditional Name: 3-benzyl-5,6-dimethoxy-2-methyl-1,3-benzotellurazol-3-ium triflate Formula: C18H18F3NO5STe MolecularWeight: 544.99943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC(=C(C=C2[Te]1)OC)OC)CC3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=CC(=C(C=C2[Te]1)OC)OC)CC3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C17H18NO2Te.CHF3O3S/c1-12-18(11-13-7-5-4-6-8-13)14-9-15(19-2)16(20-3)10-17(14)21-12;2-1(3,4)8(5,6)7/h4-10H,11H2,1-3H3;(H,5,6,7)/q+1;/p-1