bis(9-oxidanylidenexanthen-2-yl)iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: bis(9-oxidanylidenexanthen-2-yl)iodanium; tris(fluoranyl)methanesulfonate Openeye Name: bis(9-oxoxanthen-2-yl)iodonium; trifluoromethanesulfonate CAS Name: bis(9-oxo-2-xanthenyl)iodonium; trifluoromethanesulfonate IUPAC Name: bis(9-oxoxanthen-2-yl)iodanium; trifluoromethanesulfonate Traditional Name: bis(9-ketoxanthen-2-yl)iodonium triflate Formula: C27H14F3IO7S MolecularWeight: 666.36054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)[I+]C4=CC5=C(C=C4)OC6=CC=CC=C6C5=O.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)[I+]C4=CC5=C(C=C4)OC6=CC=CC=C6C5=O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C26H14IO4.CHF3O3S/c28-25-17-5-1-3-7-21(17)30-23-11-9-15(13-19(23)25)27-16-10-12-24-20(14-16)26(29)18-6-2-4-8-22(18)31-24;2-1(3,4)8(5,6)7/h1-14H;(H,5,6,7)/q+1;/p-1