Disodium 2-({4-[(2-amino-4-{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-nitrophenyl)diazenyl]phenyl}amino)-5-nitrobenzenesulfonate
[CAS# 85959-27-9]

Identification

• Name: Disodium 2-({4-[(2-amino-4-{[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-nitrophenyl)diazenyl]phenyl}amino)-5-nitrobenzenesulfonate
• Synonyms: disodium 2-[[4-[[2-amino-4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]-5-nitrophenyl]azo]phenyl]amino]-5-nitrobenzenesulphonate
• Molecular Formula: C₂₈H₂₀N₁₀Na₂O₁₁S₂
• Molecular Weight: 782.63
• CAS Registry Number: 85959-27-9
• EINECS: 289-019-5
• SMILES: [Na+].[Na+].[O-][N+](=O)c5ccc(Nc1ccc(cc1)N=Nc2cc([N+]([O-])=O)c(cc2N)N=NC4C(\C)=N/N(c3ccc(cc3)S([O-])(=O)=O)C4=O)c(c5)S([O-])(=O)=O
• InChI: 1S/C28H22N10O11S2.2Na/c1-15-27(28(39)36(35-15)18-6-9-20(10-7-18)50(44,45)46)34-33-24-13-21(29)23(14-25(24)38(42)43)32-31-17-4-2-16(3-5-17)30-22-11-8-19(37(40)41)12-26(22)51(47,48)49;;/h2-14,27,30H,29H2,1H3,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2
• InChIKey: AAALRSYHMIVUCC-UHFFFAOYSA-L