2-[[1-[4-[4-[[4-[4-[4-(2-Carboxy-4-Sulfo-Phenyl)Azo-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]Phenyl]Phenyl]Carbamoylamino]Phenyl]Phenyl]-3-Methyl-5-Oxo-4H-Pyrazol-4-Yl]Azo]-5-Sulfo-Benzoic Acid
[CAS# 16894-31-8]

Identification

• Name: 2-[[1-[4-[4-[[4-[4-[4-(2-Carboxy-4-Sulfo-Phenyl)Azo-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]Phenyl]Phenyl]Carbamoylamino]Phenyl]Phenyl]-3-Methyl-5-Oxo-4H-Pyrazol-4-Yl]Azo]-5-Sulfo-Benzoic Acid
• Molecular Formula: C₄₇H₃₆N₁₀O₁₃S₂
• Molecular Weight: 1012.98
• CAS Registry Number: 16894-31-8
• SMILES: CC1=NN(C(=O)C1N=Nc2ccc(cc2C(=O)O)S(=O)(=O)O)c3ccc(cc3)c4ccc(cc4)NC(=O)Nc5ccc(cc5)c6ccc(cc6)N7C(=O)C(C(=N7)C)N=Nc8ccc(cc8C(=O)O)S(=O)(=O)O
• InChI: 1S/C47H36N10O13S2/c1-25-41(52-50-39-21-19-35(71(65,66)67)23-37(39)45(60)61)43(58)56(54-25)33-15-7-29(8-16-33)27-3-11-31(12-4-27)48-47(64)49-32-13-5-28(6-14-32)30-9-17-34(18-10-30)57-44(59)42(26(2)55-57)53-51-40-22-20-36(72(68,69)70)24-38(40)46(62)63/h3-24,41-42H,1-2H3,(H,60,61)(H,62,63)(H2,48,49,64)(H,65,66,67)(H,68,69,70)
• InChIKey: XYABAKACYLPOJK-UHFFFAOYSA-N

Properties

• Density: 1.605g/cm³ (Cal.)
• Refractive index: 1.753 (Cal.)