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2-nitro-1-(trifluoromethyl)dibenzothiophen-5-ium; tris(fluoranyl)methanesulfonate

2-nitro-1-(trifluoromethyl)dibenzothiophen-5-ium; tris(fluoranyl)methanesulfonate

Systemtic Name:2-nitro-1-(trifluoromethyl)dibenzothiophen-5-ium; tris(fluoranyl)methanesulfonate
Openeye Name:2-nitro-1-(trifluoromethyl)dibenzothiophen-5-ium; trifluoromethanesulfonate
CAS Name:2-nitro-1-(trifluoromethyl)dibenzothiophen-5-ium; trifluoromethanesulfonate
IUPAC Name:2-nitro-1-(trifluoromethyl)dibenzothiophen-5-ium; trifluoromethanesulfonate
Traditional Name:2-nitro-1-(trifluoromethyl)dibenzothiophen-5-ium triflate
Formula: C14H7F6NO5S2
MolecularWeight: 447.329499
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C([SH+]2)C=CC(=C3C(F)(F)F)[N+](=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]


Isomeric SMILES

C1=CC=C2C(=C1)C3=C([SH+]2)C=CC(=C3C(F)(F)F)[N+](=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]


InChI

InChI=1S/C13H6F3NO2S.CHF3O3S/c14-13(15,16)12-8(17(18)19)5-6-10-11(12)7-3-1-2-4-9(7)20-10;2-1(3,4)8(5,6)7/h1-6H;(H,5,6,7)


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