bis[2-(1-iodanylbutyl)phenyl]iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: bis[2-(1-iodanylbutyl)phenyl]iodanium; tris(fluoranyl)methanesulfonate Openeye Name: bis[2-(1-iodobutyl)phenyl]iodonium; trifluoromethanesulfonate CAS Name: bis[2-(1-iodobutyl)phenyl]iodonium; trifluoromethanesulfonate IUPAC Name: bis[2-(1-iodobutyl)phenyl]iodanium; trifluoromethanesulfonate Traditional Name: bis[2-(1-iodobutyl)phenyl]iodonium triflate Formula: C21H24F3I3O3S MolecularWeight: 794.18708

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1[I+]C2=CC=CC=C2C(CCC)I)I.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCC(C1=CC=CC=C1[I+]C2=CC=CC=C2C(CCC)I)I.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C20H24I3.CHF3O3S/c1-3-9-17(21)15-11-5-7-13-19(15)23-20-14-8-6-12-16(20)18(22)10-4-2;2-1(3,4)8(5,6)7/h5-8,11-14,17-18H,3-4,9-10H2,1-2H3;(H,5,6,7)/q+1;/p-1