Disodium 2,2'-{(2-methyl-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis[imino(3-methyl-4,1-phenylene)imino]}bis(5-nitrobenzenesulfonate)
[CAS# 85650-79-9]

Identification

• Name: Disodium 2,2'-{(2-methyl-3,6-dioxo-1,4-cyclohexadiene-1,4-diyl)bis[imino(3-methyl-4,1-phenylene)imino]}bis(5-nitrobenzenesulfonate)
• Synonyms: disodium 2,2'-[(2-methyl-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[imino(methyl-p-phenylene)imino]]bis[5-nitrobenzenesulphonate]
• Molecular Formula: C₃₃H₂₆N₆Na₂O₁₂S₂
• Molecular Weight: 808.70
• CAS Registry Number: 85650-79-9
• EINECS: 288-088-9
• SMILES: [Na+].[Na+].O=C5C=C(Nc2ccc(Nc1ccc(cc1S([O-])(=O)=O)[N+]([O-])=O)cc2C)C(=O)C(C)=C5Nc4ccc(Nc3ccc(cc3S([O-])(=O)=O)[N+]([O-])=O)cc4C
• InChI: 1S/C33H28N6O12S2.2Na/c1-17-12-20(34-26-10-6-22(38(42)43)14-30(26)52(46,47)48)4-8-24(17)36-28-16-29(40)32(19(3)33(28)41)37-25-9-5-21(13-18(25)2)35-27-11-7-23(39(44)45)15-31(27)53(49,50)51;;/h4-16,34-37H,1-3H3,(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2
• InChIKey: VRPJENJYLNCBDC-UHFFFAOYSA-L