Disodium 3-[4,5-Dihydro-4-[[5-Hydroxy-3-Methyl-1-(3-Sulphonatophenyl)-1H-Pyrazol-4-Yl]Methylene]-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Benzenesulphonate
[CAS# 84100-35-6]

Identification

• Name: Disodium 3-[4,5-Dihydro-4-[[5-Hydroxy-3-Methyl-1-(3-Sulphonatophenyl)-1H-Pyrazol-4-Yl]Methylene]-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl]Benzenesulphonate
• Synonyms: Disodium 3-[3-Methyl-4-[(Z)-[3-Methyl-5-Oxo-1-(3-Sulfonatophenyl)-4-Pyrazolylidene]Methyl]-5-Oxo-2H-Pyrazol-1-Yl]Benzenesulfonate; Disodium 3-[5-Keto-4-[(Z)-[5-Keto-3-Methyl-1-(3-Sulfonatophenyl)Pyrazol-4-Ylidene]Methyl]-3-Methyl-2H-Pyrazol-1-Yl]Benzenesulfonate
• Molecular Formula: C₂₁H₁₆N₄Na₂O₈S₂
• Molecular Weight: 562.48
• CAS Registry Number: 84100-35-6
• EINECS: 282-116-3
• SMILES: C4=C(N1NC(=C(C1=O)/C=C2/C(=NN(C2=O)C3=CC(=CC=C3)[S]([O-])(=O)=O)C)C)C=CC=C4[S]([O-])(=O)=O.[Na+].[Na+]
• InChI: 1S/C21H18N4O8S2.2Na/c1-12-18(20(26)24(22-12)14-5-3-7-16(9-14)34(28,29)30)11-19-13(2)23-25(21(19)27)15-6-4-8-17(10-15)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: KXXZOFHMIYPKDZ-QXKJJGPWSA-L