(2-oxidanylidenechromen-7-yl)-(9-oxidanylidenexanthen-2-yl)iodanium; 4-(trifluoromethyl)benzenesulfonate

Systemtic Name: (2-oxidanylidenechromen-7-yl)-(9-oxidanylidenexanthen-2-yl)iodanium; 4-(trifluoromethyl)benzenesulfonate Openeye Name: (2-oxochromen-7-yl)-(9-oxoxanthen-2-yl)iodonium; 4-(trifluoromethyl)benzenesulfonate CAS Name: (2-oxo-1-benzopyran-7-yl)-(9-oxo-2-xanthenyl)iodonium; 4-(trifluoromethyl)benzenesulfonate IUPAC Name: (2-oxochromen-7-yl)-(9-oxoxanthen-2-yl)iodanium; 4-(trifluoromethyl)benzenesulfonate Traditional Name: (2-ketochromen-7-yl)-(9-ketoxanthen-2-yl)iodonium; 4-(trifluoromethyl)besylate Formula: C29H16F3IO7S MolecularWeight: 692.39782

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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)C=CC(=O)O5.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)C=CC(=O)O5.C1=CC(=CC=C1C(F)(F)F)S(=O)(=O)[O-]

InChI

InChI=1S/C22H12IO4.C7H5F3O3S/c24-21-10-6-13-5-7-15(12-20(13)27-21)23-14-8-9-19-17(11-14)22(25)16-3-1-2-4-18(16)26-19;8-7(9,10)5-1-3-6(4-2-5)14(11,12)13/h1-12H;1-4H,(H,11,12,13)/q+1;/p-1