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

Systemtic Name: 4-fluoranylbenzenesulfonate; (2-oxidanylidenechromen-7-yl)-(9-oxidanylidenexanthen-2-yl)iodanium Openeye Name: 4-fluorobenzenesulfonate; (2-oxochromen-7-yl)-(9-oxoxanthen-2-yl)iodonium CAS Name: 4-fluorobenzenesulfonate; (2-oxo-1-benzopyran-7-yl)-(9-oxo-2-xanthenyl)iodonium IUPAC Name: 4-fluorobenzenesulfonate; (2-oxochromen-7-yl)-(9-oxoxanthen-2-yl)iodanium Traditional Name: 4-fluorobesylate; (2-ketochromen-7-yl)-(9-ketoxanthen-2-yl)iodonium Formula: C28H16FIO7S MolecularWeight: 642.390313

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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=C1F)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=C1F)S(=O)(=O)[O-]

InChI

InChI=1S/C22H12IO4.C6H5FO3S/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;7-5-1-3-6(4-2-5)11(8,9)10/h1-12H;1-4H,(H,8,9,10)/q+1;/p-1