2,4-dimethyl-7-nitro-5-(trifluoromethyl)dibenzothiophen-5-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2,4-dimethyl-7-nitro-5-(trifluoromethyl)dibenzothiophen-5-ium; tris(fluoranyl)methanesulfonate Openeye Name: 2,4-dimethyl-7-nitro-5-(trifluoromethyl)dibenzothiophen-5-ium; trifluoromethanesulfonate CAS Name: 2,4-dimethyl-7-nitro-5-(trifluoromethyl)dibenzothiophen-5-ium; trifluoromethanesulfonate IUPAC Name: 2,4-dimethyl-7-nitro-5-(trifluoromethyl)dibenzothiophen-5-ium; trifluoromethanesulfonate Traditional Name: 2,4-dimethyl-7-nitro-5-(trifluoromethyl)dibenzothiophen-5-ium triflate Formula: C16H11F6NO5S2 MolecularWeight: 475.382659

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11F3NO2S.CHF3O3S/c1-8-5-9(2)14-12(6-8)11-4-3-10(19(20)21)7-13(11)22(14)15(16,17)18;2-1(3,4)8(5,6)7/h3-7H,1-2H3;(H,5,6,7)/q+1;/p-1