ethanol; 5-(trifluoromethyl)dibenzothiophen-5-ium-3-sulfonate

Systemtic Name: ethanol; 5-(trifluoromethyl)dibenzothiophen-5-ium-3-sulfonate Openeye Name: ethanol; 5-(trifluoromethyl)dibenzothiophen-5-ium-3-sulfonate CAS Name: ethanol; 5-(trifluoromethyl)-3-dibenzothiophen-5-iumsulfonate IUPAC Name: ethanol; 5-(trifluoromethyl)dibenzothiophen-5-ium-3-sulfonate Traditional Name: ethanol; 5-(trifluoromethyl)dibenzothiophen-5-ium-3-sulfonate Formula: C15H13F3O4S2 MolecularWeight: 378.38653

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H7F3O3S2.C2H6O/c14-13(15,16)20-11-4-2-1-3-9(11)10-6-5-8(7-12(10)20)21(17,18)19;1-2-3/h1-7H;3H,2H2,1H3