Disodium 3,3'-{(2,2'-dimethyl-4,4'-biphenyldiyl)bis[2,1-diazenediyl(3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4,1-diyl)]}bis(4-chlorobenzenesulfonate)
[CAS# 89923-60-4]

Identification

• Name: Disodium 3,3'-{(2,2'-dimethyl-4,4'-biphenyldiyl)bis[2,1-diazenediyl(3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4,1-diyl)]}bis(4-chlorobenzenesulfonate)
• Synonyms: disodium 3,3'-[(2,2'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[azo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[4-chlorobenzenesulphonate]
• Molecular Formula: C₃₄H₂₆Cl₂N₈Na₂O₈S₂
• Molecular Weight: 855.63
• CAS Registry Number: 89923-60-4
• EINECS: 289-549-7
• SMILES: [Na+].[Na+].[O-]S(=O)(=O)c1cc(c(Cl)cc1)N6/N=C(/C)C(N=Nc2ccc(c(C)c2)c3ccc(cc3C)N=NC5C(\C)=N/N(c4cc(ccc4Cl)S([O-])(=O)=O)C5=O)C6=O
• InChI: 1S/C34H28Cl2N8O8S2.2Na/c1-17-13-21(37-39-31-19(3)41-43(33(31)45)29-15-23(53(47,48)49)7-11-27(29)35)5-9-25(17)26-10-6-22(14-18(26)2)38-40-32-20(4)42-44(34(32)46)30-16-24(54(50,51)52)8-12-28(30)36;;/h5-16,31-32H,1-4H3,(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2
• InChIKey: BLZZLGFKNHZOGL-UHFFFAOYSA-L