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

Systemtic Name: 2-methyl-3-phenyl-1,4-dithioniabicyclo[2.2.2]oct-2-ene; tris(fluoranyl)methanesulfonate Openeye Name: 2-methyl-3-phenyl-1,4-dithioniabicyclo[2.2.2]oct-2-ene; trifluoromethanesulfonate CAS Name: 2-methyl-3-phenyl-1,4-dithioniabicyclo[2.2.2]oct-2-ene; trifluoromethanesulfonate IUPAC Name: 2-methyl-3-phenyl-1,4-dithioniabicyclo[2.2.2]oct-2-ene; trifluoromethanesulfonate Traditional Name: 2-methyl-3-phenyl-1,4-dithioniabicyclo[2.2.2]oct-2-ene ditriflate Formula: C15H16F6O6S4 MolecularWeight: 534.534359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C13H16S2.2CHF3O3S/c1-11-13(12-5-3-2-4-6-12)15-9-7-14(11)8-10-15;2*2-1(3,4)8(5,6)7/h2-6H,7-10H2,1H3;2*(H,5,6,7)/q+2;;/p-2