2,7-dinitro-1-(trifluoromethyl)dibenzothiophen-5-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2,7-dinitro-1-(trifluoromethyl)dibenzothiophen-5-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2,7-dinitro-1-(trifluoromethyl)dibenzothiophen-5-ium; trifluoromethanesulfonate CAS Name: 2,7-dinitro-1-(trifluoromethyl)dibenzothiophen-5-ium; trifluoromethanesulfonate IUPAC Name: 2,7-dinitro-1-(trifluoromethyl)dibenzothiophen-5-ium; trifluoromethanesulfonate Traditional Name: 2,7-dinitro-1-(trifluoromethyl)dibenzothiophen-5-ium triflate Formula: C14H6F6N2O7S2 MolecularWeight: 492.327059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])[SH+]C3=C2C(=C(C=C3)[N+](=O)[O-])C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])[SH+]C3=C2C(=C(C=C3)[N+](=O)[O-])C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H5F3N2O4S.CHF3O3S/c14-13(15,16)12-8(18(21)22)3-4-9-11(12)7-2-1-6(17(19)20)5-10(7)23-9;2-1(3,4)8(5,6)7/h1-5H;(H,5,6,7)