phenyl-[4-[(4-phenyliodoniophenyl)methyl]phenyl]iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: phenyl-[4-[(4-phenyliodoniophenyl)methyl]phenyl]iodanium; tris(fluoranyl)methanesulfonate Openeye Name: phenyl-[4-[(4-phenyliodoniophenyl)methyl]phenyl]iodonium; trifluoromethanesulfonate CAS Name: phenyl-[4-[(4-phenyliodoniophenyl)methyl]phenyl]iodonium; trifluoromethanesulfonate IUPAC Name: phenyl-[4-[(4-phenyliodoniophenyl)methyl]phenyl]iodanium; trifluoromethanesulfonate Traditional Name: phenyl-[4-(4-phenyliodoniobenzyl)phenyl]iodonium ditriflate Formula: C27H20F6I2O6S2 MolecularWeight: 872.373459

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)CC3=CC=C(C=C3)[I+]C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)CC3=CC=C(C=C3)[I+]C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C25H20I2.2CHF3O3S/c1-3-7-22(8-4-1)26-24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)27-23-9-5-2-6-10-23;2*2-1(3,4)8(5,6)7/h1-18H,19H2;2*(H,5,6,7)/q+2;;/p-2