Registration Dossier
Registration Dossier
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EC number: 291-103-1 | CAS number: 90341-71-2
Reference substances
- IUPAC name:
- Cuprate(4-), [2-[[[[2-hydroxy-3-sulfo-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]phenylmethyl]azo]-4-sulfobenzoato(6-)]-, sodium
Inventory
- EC number:
- 291-103-1
- EC name:
- Cuprate(4-), [2-[[[[2-hydroxy-3-sulfo-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]phenylmethyl]azo]-4-sulfobenzoato(6-)]-, sodium
- CAS number:
- 90341-71-2
- CAS number:
- 90341-71-2
Synonyms
- Names:
- Identifier:
- IUPAC name
- Tetrasodium [2-{[{2-[2-(hydroxy-kO)-3-sulfo-5-{[2-(sulfooxy)ethyl]sulfonyl}phenyl]hydrazinylidene-kN2}(phenyl)methyl]diazenyl-kN1}-4-sulfobenzoato(6-)-kO]cuprate(4-)
- Identifier:
- IUPAC name
- tetrasodium mono(2-((E)-(((E)-(2-oxido-3-sulfo-5-(2-(sulfonatooxy)ethylsulfonyl)phenyl)diazenyl)(phenyl)methyl)diazenyl)-4-sulfonatobenzoate (6-) cuprate(4-)
- Identifier:
- other: Molecular formula
- C22H14CuN4O15S4
- Identifier:
- other: Molecular formula
- C22H14CuN4O15S4 . x Na
- Identifier:
- other: Molecular formula
- C22H14CuN4O15S4.4Na
- Identifier:
- other: Molecular formula
- C22H15CuN4Na3O15S4
- Identifier:
- other: SMILES notation
- [Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)C1=CC(=C2O[Cu]3OC(=O)C4=CC=C(C=C4\N=N\C(=N/N3C2=C1)\C1=CC=CC=C1)S([O-])(=O)=O)S([O-])(=O)=O
- Identifier:
- other: SMILES notation
- [Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)C1=CC(=C2O[Cu]OC(=O)C3=C(N\N=C(/N=N/C2=C1)\C1=CC=CC=C1)C=C(C=C3)S([O-])(=O)=O)S([O-])(=O)=O
Molecular and structural information
- Molecular formula:
- C22H14CuN4Na4O15S4
- Molecular weight:
- 858.115
- SMILES notation:
- C1=CC=CC(=C1)C5=NN2[Cu-](OC3=C([S](=O)(=O)[O-])C=C([S](=O)(CCO[S](=O)(=O)[O-])=O)C=C23)OC(=O)C4=CC=C([S](=O)(=O)[O-])C=C4N=N5.[Na+].[Na+].[Na+].[Na+]
- InChl:
- InChI=1S/C22H20N4O15S4.Cu.4Na/c27-20-18(11-15(12-19(20)44(35,36)37)42(30,31)9-8-41-45(38,39)40)24-26-21(13-4-2-1-3-5-13)25-23-17-10-14(43(32,33)34)6-7-16(17)22(28)29;;;;;/h1-7,10-12H,8-9H2,(H6,23,24,25,26,27,28,29,32,33,34,35,36,37,38,39,40);;;;;/q;+2;4*+1/p-6
- Structural formula:
Related substances
- Identifier:
- CAS number
- Identity:
- 128416-19-3
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