2,4-dimethyl-5-(trifluoromethyl)dibenzothiophen-5-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2,4-dimethyl-5-(trifluoromethyl)dibenzothiophen-5-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2,4-dimethyl-5-(trifluoromethyl)dibenzothiophen-5-ium; trifluoromethanesulfonate CAS Name: 2,4-dimethyl-5-(trifluoromethyl)dibenzothiophen-5-ium; trifluoromethanesulfonate IUPAC Name: 2,4-dimethyl-5-(trifluoromethyl)dibenzothiophen-5-ium; trifluoromethanesulfonate Traditional Name: 2,4-dimethyl-5-(trifluoromethyl)dibenzothiophen-5-ium triflate Formula: C16H12F6O3S2 MolecularWeight: 430.385099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C3=CC=CC=C3[S+]2C(F)(F)F)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=C2C(=C1)C3=CC=CC=C3[S+]2C(F)(F)F)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

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