1-iodanylpyrrolidine-2,5-dione; tetrabutylazanium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-iodanylpyrrolidine-2,5-dione; tetrabutylazanium; tris(fluoranyl)methanesulfonate Openeye Name: 1-iodopyrrolidine-2,5-dione; tetrabutylammonium; trifluoromethanesulfonate CAS Name: 1-iodopyrrolidine-2,5-dione; tetrabutylammonium; trifluoromethanesulfonate IUPAC Name: 1-iodopyrrolidine-2,5-dione; tetrabutylazanium; trifluoromethanesulfonate Traditional Name: 1-iodopyrrolidine-2,5-quinone; tetrabutylammonium; triflate Formula: C21H40F3IN2O5S MolecularWeight: 616.51738

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.C1CC(=O)N(C1=O)I.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C1CC(=O)N(C1=O)I.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H36N.C4H4INO2.CHF3O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;5-6-3(7)1-2-4(6)8;2-1(3,4)8(5,6)7/h5-16H2,1-4H3;1-2H2;(H,5,6,7)/q+1;;/p-1