ci 10020

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IUPAC Name :trisodium;iron(3+);5-nitroso-6-oxidonaphthalene-2-sulfonate
InChI :InChI=1/3C10H7NO5S.Fe.3Na/c3*12-9-4-1-6-5-7(17(14,15)16)2-3-8(6)10(9)11-13;;;;/h3*1-5,12H,(H,14,15,16);;;;/q;;;+3;3*+1/p-6
Std.InChI: InChI=1S/3C10H7NO5S.Fe.3Na/c3*12-9-4-1-6-5-7(17(14,15)16)2-3-8(6)10(9)11-13;;;;/h3*1-5,12H,(H,14,15,16);;;;/q;;;+3;3*+1/p-6
InChIKey :JMXROTHPANUTOJ-CYFPFDDLAW
Std.InChIKey: JMXROTHPANUTOJ-UHFFFAOYSA-H
SMILES :[Fe+3].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c2cc1ccc([O-])c(N=O)c1cc2.[O-]S(=O)(=O)c2cc1ccc([O-])c(N=O)c1cc2.[O-]S(=O)(=O)c2cc1ccc([O-])c(N=O)c1cc2
MDL: MFCD00003886