disodium 5-[4,7-bis(bromanyl)-3-oxidanylidene-1-(4-oxidanyl-3-sulfonato-phenyl)-2-benzofuran-1-yl]-2-oxidanyl-benzenesulfonate

Systemtic Name: disodium 5-[4,7-bis(bromanyl)-3-oxidanylidene-1-(4-oxidanyl-3-sulfonato-phenyl)-2-benzofuran-1-yl]-2-oxidanyl-benzenesulfonate Openeye Name: disodium 5-[4,7-dibromo-1-(4-hydroxy-3-sulfonato-phenyl)-3-oxo-isobenzofuran-1-yl]-2-hydroxy-benzenesulfonate CAS Name: disodium 5-[4,7-dibromo-1-(4-hydroxy-3-sulfonatophenyl)-3-oxo-1-isobenzofuranyl]-2-hydroxybenzenesulfonate IUPAC Name: disodium 5-[4,7-dibromo-1-(4-hydroxy-3-sulfonatophenyl)-3-oxo-2-benzofuran-1-yl]-2-hydroxybenzenesulfonate Traditional Name: disodium 5-[4,7-dibromo-1-(4-hydroxy-3-sulfonato-phenyl)-3-keto-phthalan-1-yl]-2-hydroxy-besylate Formula: C20H10Br2Na2O10S2 MolecularWeight: 680.20494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2(C3=C(C=CC(=C3C(=O)O2)Br)Br)C4=CC(=C(C=C4)O)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1C2(C3=C(C=CC(=C3C(=O)O2)Br)Br)C4=CC(=C(C=C4)O)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C20H12Br2O10S2.2Na/c21-11-3-4-12(22)18-17(11)19(25)32-20(18,9-1-5-13(23)15(7-9)33(26,27)28)10-2-6-14(24)16(8-10)34(29,30)31;;/h1-8,23-24H,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2