Tetrasodium 2-[[5-(Aminocarbonyl)-1,6-Dihydro-4-Methyl-2-Oxido-6-Oxo-1-[2-(4-Sulphonatophenyl)Ethyl]-3-Pyridyl]Azo]-5-[(3-Phosphonatophenyl)Azo]Benzenesulphonate
[CAS# 83984-89-8]

Identification

• Name: Tetrasodium 2-[[5-(Aminocarbonyl)-1,6-Dihydro-4-Methyl-2-Oxido-6-Oxo-1-[2-(4-Sulphonatophenyl)Ethyl]-3-Pyridyl]Azo]-5-[(3-Phosphonatophenyl)Azo]Benzenesulphonate
• Synonyms: Tetrasodium (5Z)-4-Methyl-2,6-Dioxo-5-[[4-(3-Phosphonatophenyl)Azo-2-Sulfonato-Phenyl]Hydrazono]-1-[2-(4-Sulfonatophenyl)Ethyl]Pyridine-3-Carboximidate; Tetrasodium (5Z)-4-Methyl-2,6-Dioxo-5-[[4-(3-Phosphonatophenyl)Azo-2-Sulfonatophenyl]Hydrazono]-1-[2-(4-Sulfonatophenyl)Ethyl]-3-Pyridinecarboximidate; Tetrasodium (5Z)-2,6-Diketo-4-Methyl-5-[[4-(3-Phosphonatophenyl)Azo-2-Sulfonato-Phenyl]Hydrazono]-1-[2-(4-Sulfonatophenyl)Ethyl]Pyridine-3-Carboximidate
• Molecular Formula: C₂₇H₂₀N₆Na₄O₁₂PS₂
• Molecular Weight: 807.54
• CAS Registry Number: 83984-89-8
• EINECS: 281-611-1
• SMILES: C4=C(CCN3C(=O)\C(=N/NC2=C([S]([O-])(=O)=O)C=C(N=NC1=CC(=CC=C1)[P]([O-])([O-])=O)C=C2)C(=C(C3=O)C(=O)[NH-])C)C=CC(=C4)[S]([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C27H25N6O12PS2.4Na/c1-15-23(25(28)34)26(35)33(12-11-16-5-8-20(9-6-16)47(40,41)42)27(36)24(15)32-31-21-10-7-18(14-22(21)48(43,44)45)30-29-17-3-2-4-19(13-17)46(37,38)39;;;;/h2-10,13-14H,11-12H2,1H3,(H7,28,29,31,34,35,36,37,38,39,40,41,42,43,44,45);;;;/q;4*+1/p-5
• InChIKey: STPSRENMUUQSQX-UHFFFAOYSA-I