Trisodium 5-{[3-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)propanoyl]amino}-4-hydroxy-3-[(4-sulfonatophenyl)diazenyl]-2,7-naphthalenedisulfonate
[CAS# 85958-98-1]

Identification

• Name: Trisodium 5-{[3-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)propanoyl]amino}-4-hydroxy-3-[(4-sulfonatophenyl)diazenyl]-2,7-naphthalenedisulfonate
• Synonyms: trisodium 4-[[3-(4,5-dichloro-6-oxo-6H-pyridazin-1-yl)propionyl]amino]-5-hydroxy-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate
• Molecular Formula: C₂₃H₁₄Cl₂N₅Na₃O₁₂S₃
• Molecular Weight: 788.45
• CAS Registry Number: 85958-98-1
• EINECS: 288-987-6
• SMILES: [Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2c(O)c4c(cc2S([O-])(=O)=O)cc(cc4NC(=O)CCN3N=CC(\Cl)=C(\Cl)C3=O)S([O-])(=O)=O
• InChI: 1S/C23H17Cl2N5O12S3.3Na/c24-15-10-26-30(23(33)20(15)25)6-5-18(31)27-16-9-14(44(37,38)39)7-11-8-17(45(40,41)42)21(22(32)19(11)16)29-28-12-1-3-13(4-2-12)43(34,35)36;;;/h1-4,7-10,32H,5-6H2,(H,27,31)(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3
• InChIKey: AGFMYGHESMMLSS-UHFFFAOYSA-K