Disodium 4-[4,5-Dihydro-4-[3-[5-Hydroxy-3-Methyl-1-(4-Sulphonatophenyl)-1H-Pyrazol-4-Yl]Allylidene]-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Benzenesulphonate
[CAS# 63870-34-8]

Identification

• Name: Disodium 4-[4,5-Dihydro-4-[3-[5-Hydroxy-3-Methyl-1-(4-Sulphonatophenyl)-1H-Pyrazol-4-Yl]Allylidene]-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Benzenesulphonate
• Synonyms: Disodium 4-[3-Methyl-4-[(E,3Z)-3-[3-Methyl-5-Oxo-1-(4-Sulfonatophenyl)-4-Pyrazolylidene]Prop-1-Enyl]-5-Oxo-2H-Pyrazol-1-Yl]Benzenesulfonate; Disodium 4-[5-Keto-4-[(E,3Z)-3-[5-Keto-3-Methyl-1-(4-Sulfonatophenyl)Pyrazol-4-Ylidene]Prop-1-Enyl]-3-Methyl-2H-Pyrazol-1-Yl]Benzenesulfonate
• Molecular Formula: C₂₃H₁₈N₄Na₂O₈S₂
• Molecular Weight: 588.52
• CAS Registry Number: 63870-34-8
• EINECS: 264-528-5
• SMILES: C4=C(N1NC(=C(C1=O)/C=C/C=C3/C(=NN(C2=CC=C([S]([O-])(=O)=O)C=C2)C3=O)C)C)C=CC(=C4)[S]([O-])(=O)=O.[Na+].[Na+]
• InChI: 1S/C23H20N4O8S2.2Na/c1-14-20(22(28)26(24-14)16-6-10-18(11-7-16)36(30,31)32)4-3-5-21-15(2)25-27(23(21)29)17-8-12-19(13-9-17)37(33,34)35;;/h3-13,24H,1-2H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2/b4-3+,21-5-
• InChIKey: IQALYCUICNUBHU-KSDNMRJFSA-L