Trisodium 4-[4,5-Dihydro-3-Methyl-4-[1-Methyl-3-[3-Methyl-5-Oxido-1-(4-Sulphonatophenyl)-1H-Pyrazol-4-Yl]Allylidene]-5-Oxo-1H-Pyrazol-1-Yl]Benzenesulphonate
[CAS# 53014-12-3]

Identification

• Name: Trisodium 4-[4,5-Dihydro-3-Methyl-4-[1-Methyl-3-[3-Methyl-5-Oxido-1-(4-Sulphonatophenyl)-1H-Pyrazol-4-Yl]Allylidene]-5-Oxo-1H-Pyrazol-1-Yl]Benzenesulphonate
• Synonyms: Trisodium 4-[(4Z)-3-Methyl-4-[(E)-1-Methyl-3-[3-Methyl-5-Oxido-1-(4-Sulfonatophenyl)Pyrazol-4-Yl]Prop-2-Enylidene]-5-Oxo-Pyrazol-1-Yl]Benzenesulfonate; Trisodium 4-[(4Z)-3-Methyl-4-[(E)-1-Methyl-3-[3-Methyl-5-Oxido-1-(4-Sulfonatophenyl)-4-Pyrazolyl]Prop-2-Enylidene]-5-Oxo-1-Pyrazolyl]Benzenesulfonate; Trisodium 4-[(4Z)-5-Keto-3-Methyl-4-[(E)-1-Methyl-3-[3-Methyl-5-Oxido-1-(4-Sulfonatophenyl)Pyrazol-4-Yl]Prop-2-Enylidene]Pyrazol-1-Yl]Benzenesulfonate
• Molecular Formula: C₂₄H₁₉N₄Na₃O₈S₂
• Molecular Weight: 624.53
• CAS Registry Number: 53014-12-3
• EINECS: 258-294-3
• SMILES: C4=C([N]1N=C(C(=C1[O-])C(=CC=C2C(=O)N(N=C2C)C3=CC=C([S]([O-])(=O)=O)C=C3)C)C)C=CC(=C4)[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C24H22N4O8S2.3Na/c1-14(22-16(3)26-28(24(22)30)18-7-11-20(12-8-18)38(34,35)36)4-13-21-15(2)25-27(23(21)29)17-5-9-19(10-6-17)37(31,32)33;;;/h4-13,30H,1-3H3,(H,31,32,33)(H,34,35,36);;;/q;3*+1/p-3
• InChIKey: TYHMHUSUGBUSRZ-UHFFFAOYSA-K