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

Systemtic Name: 3-cyclopropyl-1,4-dithioniabicyclo[2.2.2]octane; tris(fluoranyl)methanesulfonate Openeye Name: 3-cyclopropyl-1,4-dithioniabicyclo[2.2.2]octane; trifluoromethanesulfonate CAS Name: 3-cyclopropyl-1,4-dithioniabicyclo[2.2.2]octane; trifluoromethanesulfonate IUPAC Name: 3-cyclopropyl-1,4-dithioniabicyclo[2.2.2]octane; trifluoromethanesulfonate Traditional Name: 3-cyclopropyl-1,4-dithioniabicyclo[2.2.2]octane ditriflate Formula: C11H16F6O6S4 MolecularWeight: 486.491559

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2C[S+]3CC[S+]2CC3.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1CC1C2C[S+]3CC[S+]2CC3.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C9H16S2.2CHF3O3S/c1-2-8(1)9-7-10-3-5-11(9)6-4-10;2*2-1(3,4)8(5,6)7/h8-9H,1-7H2;2*(H,5,6,7)/q+2;;/p-2