Disodium 4-[4,5-Dihydro-4-[[5-Hydroxy-3-Methyl-1-(4-Sulphonatophenyl)-1H-Pyrazol-4-Yl]Methylene]-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Benzenesulphonate
[CAS# 84434-48-0]

Identification

• Name: Disodium 4-[4,5-Dihydro-4-[[5-Hydroxy-3-Methyl-1-(4-Sulphonatophenyl)-1H-Pyrazol-4-Yl]Methylene]-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Benzenesulphonate
• Synonyms: Disodium 4-[3-Methyl-4-[(Z)-[3-Methyl-5-Oxo-1-(4-Sulfonatophenyl)-4-Pyrazolylidene]Methyl]-5-Oxo-2H-Pyrazol-1-Yl]Benzenesulfonate; Disodium 4-[5-Keto-4-[(Z)-[5-Keto-3-Methyl-1-(4-Sulfonatophenyl)Pyrazol-4-Ylidene]Methyl]-3-Methyl-2H-Pyrazol-1-Yl]Benzenesulfonate; Benzenesulfonic Acid, 4-(4,5-Dihydro-4-((5-Hydroxy-3-Methyl-1-(4-Sulfophenyl)-1H-Pyrazol-4-Yl)Methylene)-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl)-, Disodium Salt
• Molecular Formula: C₂₁H₁₆N₄Na₂O₈S₂
• Molecular Weight: 562.48
• CAS Registry Number: 84434-48-0
• EINECS: 282-847-8
• SMILES: C4=C(N1NC(=C(C1=O)/C=C2/C(=NN(C2=O)C3=CC=C([S]([O-])(=O)=O)C=C3)C)C)C=CC(=C4)[S]([O-])(=O)=O.[Na+].[Na+]
• InChI: 1S/C21H18N4O8S2.2Na/c1-12-18(20(26)24(22-12)14-3-7-16(8-4-14)34(28,29)30)11-19-13(2)23-25(21(19)27)15-5-9-17(10-6-15)35(31,32)33;;/h3-11,22H,1-2H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b19-11-
• InChIKey: DQMIYGIPQKQVIH-QXKJJGPWSA-L