Disodium 2-[[5-Carbamoyl-1,6-Dihydro-2-Hydroxy-4-Methyl-6-Oxo-1-[2-(4-Sulphonatophenyl)Ethyl]-3-Pyridyl]Azo]-5-[(3-Phosphonophenyl)Azo]Benzenesulphonate
[CAS# 68992-04-1]

Identification

• Name: Disodium 2-[[5-Carbamoyl-1,6-Dihydro-2-Hydroxy-4-Methyl-6-Oxo-1-[2-(4-Sulphonatophenyl)Ethyl]-3-Pyridyl]Azo]-5-[(3-Phosphonophenyl)Azo]Benzenesulphonate
• Synonyms: Disodium 2-[(N'z)-N'-[5-Carbamoyl-4-Methyl-2,6-Dioxo-1-[2-(4-Sulfophenyl)Ethyl]-3-Pyridylidene]Hydrazino]-5-[3-(Hydroxy-Oxido-Phosphoryl)Phenyl]Azo-Benzenesulfonate; Disodium 2-[(N'z)-N'-[5-Carbamoyl-4-Methyl-2,6-Dioxo-1-[2-(4-Sulfophenyl)Ethyl]-3-Pyridylidene]Hydrazino]-5-[3-(Hydroxy-Oxidophosphoryl)Phenyl]Azobenzenesulfonate; Disodium 2-[(N'z)-N'-[5-Carbamoyl-2,6-Diketo-4-Methyl-1-[2-(4-Sulfophenyl)Ethyl]-3-Pyridylidene]Hydrazino]-5-[3-(Hydroxy-Oxido-Phosphoryl)Phenyl]Azo-Benzenesulfonate
• Molecular Formula: C₂₇H₂₃N₆Na₂O₁₂PS₂
• Molecular Weight: 764.59
• CAS Registry Number: 68992-04-1
• EINECS: 273-669-1
• SMILES: C4=C(CCN3C(=O)C(=C(C(=N/NC2=C([S]([O-])(=O)=O)C=C(N=NC1=CC(=CC=C1)[P](O)([O-])=O)C=C2)/C3=O)C)C(=O)N)C=CC(=C4)[S](O)(=O)=O.[Na+].[Na+]
• InChI: 1S/C27H25N6O12PS2.2Na/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;;/h2-10,13-14,31H,11-12H2,1H3,(H2,28,34)(H2,37,38,39)(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2/b30-29?,32-24-
• InChIKey: HSHJEEKLHQWUKX-MFQZKKMOSA-L