5-[4-[[4-[4-(3-Carboxy-4-Hydroxy-Phenyl)Azoanilino]-6-[[6-(2-Carboxyphenyl)Azo-5-Hydroxy-7-Sulfo-2-Naphthyl]Azo]-1,3,5-Triazin-2-Yl]Amino]Phenyl]Azo-2-Hydroxy-Benzoic Acid
[CAS# 23639-64-7]

Identification

• Name: 5-[4-[[4-[4-(3-Carboxy-4-Hydroxy-Phenyl)Azoanilino]-6-[[6-(2-Carboxyphenyl)Azo-5-Hydroxy-7-Sulfo-2-Naphthyl]Azo]-1,3,5-Triazin-2-Yl]Amino]Phenyl]Azo-2-Hydroxy-Benzoic Acid
• Molecular Formula: C₄₆H₃₁N₁₃O₁₂S
• Molecular Weight: 989.88
• CAS Registry Number: 23639-64-7
• SMILES: c1ccc(c(c1)C(=O)O)N=Nc2c(cc3cc(ccc3c2O)N=Nc4nc(nc(n4)Nc5ccc(cc5)N=Nc6ccc(c(c6)C(=O)O)O)Nc7ccc(cc7)N=Nc8ccc(c(c8)C(=O)O)O)S(=O)(=O)O
• InChI: 1S/C46H31N13O12S/c60-36-17-14-29(21-33(36)42(65)66)54-52-26-9-5-24(6-10-26)47-44-49-45(48-25-7-11-27(12-8-25)53-55-30-15-18-37(61)34(22-30)43(67)68)51-46(50-44)59-56-28-13-16-31-23(19-28)20-38(72(69,70)71)39(40(31)62)58-57-35-4-2-1-3-32(35)41(63)64/h1-22,60-62H,(H,63,64)(H,65,66)(H,67,68)(H,69,70,71)(H2,47,48,49,50,51)
• InChIKey: MRHLHHXRJKBRHU-UHFFFAOYSA-N

Properties

• Density: 1.662g/cm³ (Cal.)
• Refractive index: 1.789 (Cal.)