4-Amino-6-[(2-Chloro-4-Nitrophenyl)Azo]-5-Hydroxy-3-[[2-Hydroxy-4-[[3-Hydroxy-4-[[4-[(4-Nitro-2-Sulphophenyl)Amino]Phenyl]Azo]Phenyl]Amino]Phenyl]Azo]Naphthalene-2,7-Disulphonic Acid
[CAS# 68134-20-3]

Identification

• Name: 4-Amino-6-[(2-Chloro-4-Nitrophenyl)Azo]-5-Hydroxy-3-[[2-Hydroxy-4-[[3-Hydroxy-4-[[4-[(4-Nitro-2-Sulphophenyl)Amino]Phenyl]Azo]Phenyl]Amino]Phenyl]Azo]Naphthalene-2,7-Disulphonic Acid
• Synonyms: 4-Amino-6-((2-Chloro-4-Nitrophenyl)Azo)-5-Hydroxy-3-((2-Hydroxy-4-((3-Hydroxy-4-((4-((4-Nitro-2-Sulphophenyl)Amino)Phenyl)Azo)Phenyl)Amino)Phenyl)Azo)Naphthalene-2,7-Disulphonic Acid
• Molecular Formula: C₄₀H₂₈ClN₁₁O₁₆S₃
• Molecular Weight: 1050.36
• CAS Registry Number: 68134-20-3
• EINECS: 268-733-0
• SMILES: C1=C6C(=C(C(=C1[S](=O)(=O)O)N=NC2=CC=C(C=C2O)NC3=CC=C(C(=C3)O)N=NC4=CC=C(C=C4)NC5=CC=C(C=C5[S](=O)(=O)O)[N+](=O)[O-])N)C(=C(C(=C6)[S](=O)(=O)O)N=NC7=CC=C(C=C7Cl)[N+](=O)[O-])O
• InChI: 1S/C40H28ClN11O16S3/c41-26-17-24(51(56)57)7-11-27(26)46-50-39-35(71(66,67)68)14-19-13-34(70(63,64)65)38(37(42)36(19)40(39)55)49-48-29-10-6-23(16-32(29)54)43-22-5-9-28(31(53)15-22)47-45-21-3-1-20(2-4-21)44-30-12-8-25(52(58)59)18-33(30)69(60,61)62/h1-18,43-44,53-55H,42H2,(H,60,61,62)(H,63,64,65)(H,66,67,68)
• InChIKey: ZZHHEPKITYCYPQ-UHFFFAOYSA-N

Properties

• Density: 1.83g/cm³ (Cal.)