2-[[1-(4-Aminophenyl)-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-4-Yl]Azo]-5-[[3-[[1-(4-Aminophenyl)-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-4-Yl]Azo]-4-Hydroxybenzoyl]Amino]Benzoic Acid
[CAS# 67827-63-8]

Identification

• Name: 2-[[1-(4-Aminophenyl)-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-4-Yl]Azo]-5-[[3-[[1-(4-Aminophenyl)-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-4-Yl]Azo]-4-Hydroxybenzoyl]Amino]Benzoic Acid
• Synonyms: 2-[[1-(4-Aminophenyl)-3-Methyl-5-Oxo-4H-Pyrazol-4-Yl]Azo]-5-[[(3E)-3-[[1-(4-Aminophenyl)-3-Methyl-5-Oxo-4H-Pyrazol-4-Yl]Hydrazono]-4-Oxo-Cyclohexa-1,5-Diene-1-Carbonyl]Amino]Benzoic Acid; 2-[[1-(4-Aminophenyl)-3-Methyl-5-Oxo-4H-Pyrazol-4-Yl]Azo]-5-[[[(3E)-3-[[1-(4-Aminophenyl)-3-Methyl-5-Oxo-4H-Pyrazol-4-Yl]Hydrazono]-4-Oxo-1-Cyclohexa-1,5-Dienyl]-Oxomethyl]Amino]Benzoic Acid; 2-[[1-(4-Aminophenyl)-5-Keto-3-Methyl-4H-Pyrazol-4-Yl]Azo]-5-[[(3E)-3-[[1-(4-Aminophenyl)-5-Keto-3-Methyl-4H-Pyrazol-4-Yl]Hydrazono]-4-Keto-Cyclohexa-1,5-Diene-1-Carbonyl]Amino]Benzoic Acid
• Molecular Formula: C₃₄H₂₉N₁₁O₆
• Molecular Weight: 687.67
• CAS Registry Number: 67827-63-8
• EINECS: 267-227-7
• SMILES: C6=C(N5N=C(C(N\N=C\4C=C(C(=O)NC3=CC(=C(N=NC1C(=NN(C1=O)C2=CC=C(N)C=C2)C)C=C3)C(O)=O)C=CC4=O)C5=O)C)C=CC(=C6)N
• InChI: 1S/C34H29N11O6/c1-17-29(32(48)44(42-17)23-9-4-20(35)5-10-23)40-38-26-13-8-22(16-25(26)34(50)51)37-31(47)19-3-14-28(46)27(15-19)39-41-30-18(2)43-45(33(30)49)24-11-6-21(36)7-12-24/h3-16,29-30,41H,35-36H2,1-2H3,(H,37,47)(H,50,51)/b39-27+,40-38?
• InChIKey: WDQOWMMUCMSYQD-UJNWBBBFSA-N

Properties

• Density: 1.573g/cm³ (Cal.)