4-[[5-[[4-(4-Butylphenoxy)-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-2-Sulphophenyl]Azo]-4,5-Dihydro-5-Oxo-1-(4-Sulphophenyl)-1H-Pyrazole-3-Carboxylic Acid
[CAS# 97417-01-1]

Identification

• Name: 4-[[5-[[4-(4-Butylphenoxy)-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-2-Sulphophenyl]Azo]-4,5-Dihydro-5-Oxo-1-(4-Sulphophenyl)-1H-Pyrazole-3-Carboxylic Acid
• Synonyms: 4-[5-[[4-(4-Butylphenoxy)-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-2-Sulfo-Phenyl]Azo-5-Oxo-1-(4-Sulfophenyl)-4H-Pyrazole-3-Carboxylic Acid; 4-[5-[[4-(4-Butylphenoxy)-6-Chloro-1,3,5-Triazin-2-Yl]Amino]-2-Sulfophenyl]Azo-5-Oxo-1-(4-Sulfophenyl)-4H-Pyrazole-3-Carb
• Molecular Formula: C₂₉H₂₅ClN₈O₁₀S₂
• Molecular Weight: 745.14
• CAS Registry Number: 97417-01-1
• EINECS: 306-850-1
• SMILES: C5=C(N4N=C(C(N=NC1=C([S](=O)(=O)O)C=CC(=C1)NC2=NC(=NC(=N2)OC3=CC=C(C=C3)CCCC)Cl)C4=O)C(=O)O)C=CC(=C5)[S](=O)(=O)O
• InChI: 1S/C29H25ClN8O10S2/c1-2-3-4-16-5-10-19(11-6-16)48-29-33-27(30)32-28(34-29)31-17-7-14-22(50(45,46)47)21(15-17)35-36-23-24(26(40)41)37-38(25(23)39)18-8-12-20(13-9-18)49(42,43)44/h5-15,23H,2-4H2,1H3,(H,40,41)(H,42,43,44)(H,45,46,47)(H,31,32,33,34)
• InChIKey: WKJKXNDKRUONHJ-UHFFFAOYSA-N

Properties

• Density: 1.689g/cm³ (Cal.)