Disodium 3-[(2-Chloro-4-Nitrophenyl)Azo]-4-Hydroxy-7-[[2-Hydroxy-4-[[3-Hydroxy-4-[[4-[(4-Nitro-2-Sulphonatophenyl)Amino]Phenyl]Azo]Phenyl]Amino]Phenyl]Azo]Naphthalene-2-Sulphonate
[CAS# 85391-43-1]

Identification

• Name: Disodium 3-[(2-Chloro-4-Nitrophenyl)Azo]-4-Hydroxy-7-[[2-Hydroxy-4-[[3-Hydroxy-4-[[4-[(4-Nitro-2-Sulphonatophenyl)Amino]Phenyl]Azo]Phenyl]Amino]Phenyl]Azo]Naphthalene-2-Sulphonate
• Molecular Formula: C₄₀H₂₅ClN₁₀Na₂O₁₃S₂
• Molecular Weight: 999.25
• CAS Registry Number: 85391-43-1
• EINECS: 286-797-8
• SMILES: C1=C([S]([O-])(=O)=O)C(=C(O)C6=C1C=C(N=NC5=C(O)C=C(NC4=CC(=C(N=NC3=CC=C(NC2=C([S]([O-])(=O)=O)C=C([N+]([O-])=O)C=C2)C=C3)C=C4)O)C=C5)C=C6)N=NC7=C(Cl)C=C([N+]([O-])=O)C=C7.[Na+].[Na+]
• InChI: 1S/C40H27ClN10O13S2.2Na/c41-30-19-27(50(55)56)8-13-31(30)46-49-39-38(66(62,63)64)16-21-15-26(5-10-29(21)40(39)54)45-48-33-12-7-25(18-36(33)53)42-24-6-11-32(35(52)17-24)47-44-23-3-1-22(2-4-23)43-34-14-9-28(51(57)58)20-37(34)65(59,60)61;;/h1-20,42-43,52-54H,(H,59,60,61)(H,62,63,64);;/q;2*+1/p-2
• InChIKey: KGTREPLFAIMGCS-UHFFFAOYSA-L