Registration Dossier
Registration Dossier
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EC number: 943-520-1 | CAS number: -
Reference substances
- IUPAC name:
- trisodium bis[4-[4,5-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzene-1-sulphonato(3-)]ferrate(3-)
Inventory
- EC number:
- 276-677-3
- EC name:
- Trisodium bis[4-[4,5-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzene-1-sulphonato(3-)]ferrate(3-)
- CAS number:
- 72479-30-2
- CAS number:
- 72479-30-2
Synonyms
Molecular and structural information
- Molecular formula:
- C32H20FeN10O14S2.3Na
- Molecular weight:
- ca. 957.5
- SMILES notation:
- [Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)n3nc(C)c2N=Nc8cc(ccc8O[Fe-]5(Oc23)Oc7ccc(cc7N=Nc6c(C)nn(c4ccc(cc4)S([O-])(=O)=O)c6O5)[N+]([O-])=O)[N+]([O-])=O
- InChl:
- InChI=1S/2C16H13N5O7S.Fe.3Na/c2*1-9-15(18-17-13-8-11(21(24)25)4-7-14(13)22)16(23)20(19-9)10-2-5-12(6-3-10)29(26,27)28;;;;/h2*2-8,22-23H,1H3,(H,26,27,28);;;;/q;;+3;3*+1/p-6/b2*18-17-;;;;
- Structural formula:
Related substances
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