Trisodium 4,4'-{(2-Methyl-5-Sulfonato-1,3-Phenylene)Bis[2,1-Diazenediyl(4,6-Diamino-3,1-Phenylene)-2,1-Diazenediyl]}Di(1-Naphthalenesulfonate)
[CAS# 6473-05-8]

Identification

• Name: Trisodium 4,4'-{(2-Methyl-5-Sulfonato-1,3-Phenylene)Bis[2,1-Diazenediyl(4,6-Diamino-3,1-Phenylene)-2,1-Diazenediyl]}Di(1-Naphthalenesulfonate)
• Synonyms: 1-Naphthalenesulfonic acid, 4,4'-[(2-methyl-5-sulfo-1,3-phenylene)bis[azo(4,6-diamino-3,1-phenylene)azo]]bis-, trisodium salt; 5/8/6473
• Molecular Formula: C₃₉H₂₉N₁₂Na₃O₉S₃
• Molecular Weight: 974.89
• CAS Registry Number: 6473-05-8
• SMILES: Cc1c(cc(cc1N=Nc2cc(c(cc2N)N)N=Nc3ccc(c4c3cccc4)S(=O)(=O)[O-])S(=O)(=O)[O-])N=Nc5cc(c(cc5N)N)N=Nc6ccc(c7c6cccc7)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
• InChI: 1S/C39H32N12O9S3.3Na/c1-20-32(46-50-36-18-34(26(40)16-28(36)42)48-44-30-10-12-38(62(55,56)57)24-8-4-2-6-22(24)30)14-21(61(52,53)54)15-33(20)47-51-37-19-35(27(41)17-29(37)43)49-45-31-11-13-39(63(58,59)60)25-9-5-3-7-23(25)31;;;/h2-19H,40-43H2,1H3,(H,52,53,54)(H,55,56,57)(H,58,59,60);;;/q;3*+1/p-3
• InChIKey: RAKOOODCTAUHGT-UHFFFAOYSA-K