2,6-dimethyl-5-(trifluoromethyl)dibenzothiophen-5-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2,6-dimethyl-5-(trifluoromethyl)dibenzothiophen-5-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2,6-dimethyl-5-(trifluoromethyl)dibenzothiophen-5-ium; trifluoromethanesulfonate CAS Name: 2,6-dimethyl-5-(trifluoromethyl)dibenzothiophen-5-ium; trifluoromethanesulfonate IUPAC Name: 2,6-dimethyl-5-(trifluoromethyl)dibenzothiophen-5-ium; trifluoromethanesulfonate Traditional Name: 2,6-dimethyl-5-(trifluoromethyl)dibenzothiophen-5-ium triflate Formula: C16H12F6O3S2 MolecularWeight: 430.385099

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[S+](C3=C2C=CC=C3C)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)[S+](C3=C2C=CC=C3C)C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C15H12F3S.CHF3O3S/c1-9-6-7-13-12(8-9)11-5-3-4-10(2)14(11)19(13)15(16,17)18;2-1(3,4)8(5,6)7/h3-8H,1-2H3;(H,5,6,7)/q+1;/p-1