2-[[2-Amino-6-[[4-[[4-[(3-Carboxy-4-Hydroxyphenyl)Azo]-7-Sulpho-1-Naphthyl]Azo]-2,5-Dimethoxyphenyl]Azo]-5-Hydroxy-7-Sulpho-1-Naphthyl]Azo]-5-Nitrobenzoic Acid
[CAS# 84963-15-5]

Identification

• Name: 2-[[2-Amino-6-[[4-[[4-[(3-Carboxy-4-Hydroxyphenyl)Azo]-7-Sulpho-1-Naphthyl]Azo]-2,5-Dimethoxyphenyl]Azo]-5-Hydroxy-7-Sulpho-1-Naphthyl]Azo]-5-Nitrobenzoic Acid
• Molecular Formula: C₄₂H₃₀N₁₀O₁₆S₂
• Molecular Weight: 994.88
• CAS Registry Number: 84963-15-5
• EINECS: 284-815-9
• SMILES: C1=C([S](O)(=O)=O)C(=C(O)C2=C1C(=C(N)C=C2)N=NC3=C(C=C([N+]([O-])=O)C=C3)C(O)=O)N=NC7=C(OC)C=C(N=NC5=CC=C(N=NC4=CC(=C(O)C=C4)C(O)=O)C6=C5C=C([S](O)(=O)=O)C=C6)C(=C7)OC
• InChI: 1S/C42H30N10O16S2/c1-67-35-18-33(49-51-39-37(70(64,65)66)16-25-23(40(39)54)7-8-28(43)38(25)50-47-31-9-4-20(52(59)60)14-26(31)41(55)56)36(68-2)17-32(35)48-46-30-11-10-29(22-6-5-21(15-24(22)30)69(61,62)63)45-44-19-3-12-34(53)27(13-19)42(57)58/h3-18,53-54H,43H2,1-2H3,(H,55,56)(H,57,58)(H,61,62,63)(H,64,65,66)
• InChIKey: OZZMOSWNWQDAOA-UHFFFAOYSA-N

Properties

• Density: 1.72g/cm³ (Cal.)