3,5-bis(trifluoromethyl)benzenesulfonate; (2-oxidanylidenechromen-7-yl)-(9-oxidanylidenexanthen-2-yl)iodanium

Systemtic Name: 3,5-bis(trifluoromethyl)benzenesulfonate; (2-oxidanylidenechromen-7-yl)-(9-oxidanylidenexanthen-2-yl)iodanium Openeye Name: 3,5-bis(trifluoromethyl)benzenesulfonate; (2-oxochromen-7-yl)-(9-oxoxanthen-2-yl)iodonium CAS Name: 3,5-bis(trifluoromethyl)benzenesulfonate; (2-oxo-1-benzopyran-7-yl)-(9-oxo-2-xanthenyl)iodonium IUPAC Name: 3,5-bis(trifluoromethyl)benzenesulfonate; (2-oxochromen-7-yl)-(9-oxoxanthen-2-yl)iodanium Traditional Name: 3,5-bis(trifluoromethyl)besylate; (2-ketochromen-7-yl)-(9-ketoxanthen-2-yl)iodonium Formula: C30H15F6IO7S MolecularWeight: 760.395789

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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=C(C=C(C=C1C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F

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=C(C=C(C=C1C(F)(F)F)S(=O)(=O)[O-])C(F)(F)F

InChI

InChI=1S/C22H12IO4.C8H4F6O3S/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;9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)18(15,16)17/h1-12H;1-3H,(H,15,16,17)/q+1;/p-1