bis(9-oxidanylidenexanthen-2-yl)iodanium; 4-(trifluoromethyl)benzenesulfonate

Systemtic Name: bis(9-oxidanylidenexanthen-2-yl)iodanium; 4-(trifluoromethyl)benzenesulfonate Openeye Name: bis(9-oxoxanthen-2-yl)iodonium; 4-(trifluoromethyl)benzenesulfonate CAS Name: bis(9-oxo-2-xanthenyl)iodonium; 4-(trifluoromethyl)benzenesulfonate IUPAC Name: bis(9-oxoxanthen-2-yl)iodanium; 4-(trifluoromethyl)benzenesulfonate Traditional Name: bis(9-ketoxanthen-2-yl)iodonium; 4-(trifluoromethyl)besylate Formula: C33H18F3IO7S MolecularWeight: 742.4565

Click to see the large picture

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.C1=CC(=CC=C1C(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.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

InChI

InChI=1S/C26H14IO4.C7H5F3O3S/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;8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h1-14H;1-4H,(H,11,12,13)/q+1;/p-1