2-ethyl-3-phenyl-1,4-dithioniabicyclo[2.2.2]oct-2-ene; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-ethyl-3-phenyl-1,4-dithioniabicyclo[2.2.2]oct-2-ene; tris(fluoranyl)methanesulfonate Openeye Name: 2-ethyl-3-phenyl-1,4-dithioniabicyclo[2.2.2]oct-2-ene; trifluoromethanesulfonate CAS Name: 2-ethyl-3-phenyl-1,4-dithioniabicyclo[2.2.2]oct-2-ene; trifluoromethanesulfonate IUPAC Name: 2-ethyl-3-phenyl-1,4-dithioniabicyclo[2.2.2]oct-2-ene; trifluoromethanesulfonate Traditional Name: 2-ethyl-3-phenyl-1,4-dithioniabicyclo[2.2.2]oct-2-ene ditriflate Formula: C16H18F6O6S4 MolecularWeight: 548.560939

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C([S+]2CC[S+]1CC2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCC1=C([S+]2CC[S+]1CC2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C14H18S2.2CHF3O3S/c1-2-13-14(12-6-4-3-5-7-12)16-10-8-15(13)9-11-16;2*2-1(3,4)8(5,6)7/h3-7H,2,8-11H2,1H3;2*(H,5,6,7)/q+2;;/p-2