2-({4-[(2-Amino-4-{[3-methyl-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-nitrophenyl)diazenyl]phenyl}amino)-5-nitrobenzenesulfonic acid
[CAS# 85959-26-8]

Identification

• Name: 2-({4-[(2-Amino-4-{[3-methyl-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}-5-nitrophenyl)diazenyl]phenyl}amino)-5-nitrobenzenesulfonic acid
• Synonyms: 2-[[4-[[2-amino-4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl]azo]-5-nitrophenyl]azo]phenyl]amino]-5-nitrobenzenesulphonic acid
• Molecular Formula: C₂₈H₂₂N₁₀O₁₁S₂
• Molecular Weight: 738.66
• CAS Registry Number: 85959-26-8
• EINECS: 289-017-4
• SMILES: [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/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)
• InChIKey: XJQHTSDHQKFAMT-UHFFFAOYSA-N

Properties

• Density: 1.77g/cm³ (Cal.)