4-[[4-Chloro-6-[(4-Sulphophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-[[1-(2,5-Dichloro-4-Sulphophenyl)-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-4-Yl]Azo]Benzenesulphonic Acid
[CAS# 16893-48-4]

Identification

• Name: 4-[[4-Chloro-6-[(4-Sulphophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-[[1-(2,5-Dichloro-4-Sulphophenyl)-4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-4-Yl]Azo]Benzenesulphonic Acid
• Synonyms: 2,5-Dichloro-4-[4-[5-[[4-Chloro-6-[(4-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfo-Phenyl]Azo-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]Benzenesulfonic Acid; 2,5-Dichloro-4-[4-[5-[[4-Chloro-6-[(4-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfophenyl]Azo-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]Benzenesulfonic Acid; 2,5-Dichloro-4-[4-[5-[[4-Chloro-6-[(4-Sulfophenyl)Amino]-S-Triazin-2-Yl]Amino]-2-Sulfo-Phenyl]Azo-5-Keto-3-Methyl-4H-Pyrazol-1-Yl]Benzenesulfonic Acid
• Molecular Formula: C₂₅H₁₈Cl₃N₉O₁₀S₃
• Molecular Weight: 807.01
• CAS Registry Number: 16893-48-4
• EINECS: 240-932-7
• SMILES: C1=C(C(=CC(=C1[S](=O)(=O)O)Cl)N2C(=O)C(C(=N2)C)N=NC3=CC(=CC=C3[S](=O)(=O)O)NC4=NC(=NC(=N4)Cl)NC5=CC=C(C=C5)[S](=O)(=O)O)Cl
• InChI: 1S/C25H18Cl3N9O10S3/c1-11-21(22(38)37(36-11)18-9-16(27)20(10-15(18)26)50(45,46)47)35-34-17-8-13(4-7-19(17)49(42,43)44)30-25-32-23(28)31-24(33-25)29-12-2-5-14(6-3-12)48(39,40)41/h2-10,21H,1H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,29,30,31,32,33)
• InChIKey: SDNMRBNQFIJFSV-UHFFFAOYSA-N

Properties

• Density: 1.937g/cm³ (Cal.)