3-phenyl-1,4-dithioniabicyclo[2.2.2]octane; tris(fluoranyl)methanesulfonate

Systemtic Name: 3-phenyl-1,4-dithioniabicyclo[2.2.2]octane; tris(fluoranyl)methanesulfonate Openeye Name: 3-phenyl-1,4-dithioniabicyclo[2.2.2]octane; trifluoromethanesulfonate CAS Name: 3-phenyl-1,4-dithioniabicyclo[2.2.2]octane; trifluoromethanesulfonate IUPAC Name: 3-phenyl-1,4-dithioniabicyclo[2.2.2]octane; trifluoromethanesulfonate Traditional Name: 3-phenyl-1,4-dithioniabicyclo[2.2.2]octane ditriflate Formula: C14H16F6O6S4 MolecularWeight: 522.523659

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Descriptors Computed from Structure

Canonical SMILES:

C1C[S+]2CC[S+]1CC2C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1C[S+]2CC[S+]1CC2C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H16S2.2CHF3O3S/c1-2-4-11(5-3-1)12-10-13-6-8-14(12)9-7-13;2*2-1(3,4)8(5,6)7/h1-5,12H,6-10H2;2*(H,5,6,7)/q+2;;/p-2