disodium 4,5,6,7-tetrakis(chloranyl)-2',4',5',7'-tetrakis(iodanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate

Systemtic Name: disodium 4,5,6,7-tetrakis(chloranyl)-2',4',5',7'-tetrakis(iodanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate Openeye Name: disodium 4,5,6,7-tetrachloro-2',4',5',7'-tetraiodo-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3',6'-diolate CAS Name: disodium 4,5,6,7-tetrachloro-2',4',5',7'-tetraiodo-3-oxospiro[isobenzofuran-1,9'-xanthene]-3',6'-diolate IUPAC Name: disodium 4,5,6,7-tetrachloro-2',4',5',7'-tetraiodo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate Traditional Name: disodium 4,5,6,7-tetrachloro-2',4',5',7'-tetraiodo-3-keto-spiro[phthalan-1,9'-xanthene]-3',6'-diolate Formula: C20H2Cl4I4Na2O5 MolecularWeight: 1017.6363

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=C(C(=C1I)[O-])I)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)I)[O-])I.[Na+].[Na+]

Isomeric SMILES

C1=C2C(=C(C(=C1I)[O-])I)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)I)[O-])I.[Na+].[Na+]

InChI

InChI=1S/C20H4Cl4I4O5.2Na/c21-9-7-8(10(22)12(24)11(9)23)20(33-19(7)31)3-1-5(25)15(29)13(27)17(3)32-18-4(20)2-6(26)16(30)14(18)28;;/h1-2,29-30H;;/q;2*+1/p-2