4-[3-Methyl-4-[(E)-[3-Methyl-5-Oxo-1-(4-Sulfophenyl)Pyrazol-4-Ylidene]Methyl]-5-Oxo-4H-Pyrazol-1-Yl]Benzenesulfonic Acid
[CAS# 34142-26-2]

Identification

• Name: 4-[3-Methyl-4-[(E)-[3-Methyl-5-Oxo-1-(4-Sulfophenyl)Pyrazol-4-Ylidene]Methyl]-5-Oxo-4H-Pyrazol-1-Yl]Benzenesulfonic Acid
• Synonyms: 4-[3-Methyl-4-[(E)-[3-Methyl-5-Oxo-1-(4-Sulfophenyl)-4-Pyrazolylidene]Methyl]-5-Oxo-4H-Pyrazol-1-Yl]Benzenesulfonic Acid; 4-[5-Keto-4-[(E)-[5-Keto-3-Methyl-1-(4-Sulfophenyl)Pyrazol-4-Ylidene]Methyl]-3-Methyl-4H-Pyrazol-1-Yl]Benzenesulfonic Acid; Benzenesulfonic Acid, 4-(4-((1,5-Dihydro-3-Methyl-5-Oxo-1-(4-Sulfophenyl)-4H-Pyrazol-4-Ylidene)Methyl)-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-1-Yl)-
• Molecular Formula: C₂₁H₁₈N₄O₈S₂
• Molecular Weight: 518.52
• CAS Registry Number: 34142-26-2
• EINECS: 251-848-5
• SMILES: C4=C(N3C(C(\C=C2\C(N(C1=CC=C(C=C1)[S](O)(=O)=O)N=C2C)=O)C(=N3)C)=O)C=CC(=C4)[S](O)(=O)=O
• InChI: 1S/C21H18N4O8S2/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/h3-11,18H,1-2H3,(H,28,29,30)(H,31,32,33)/b19-11+
• InChIKey: PTOFMVRVTDBZKK-YBFXNURJSA-N

Properties

• Density: 1.645g/cm³ (Cal.)