Trisodium 2-[[4-chloro-6-morpholino-1,3,5-triazin-2-yl]amino]-5-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzene-1,4-disulphonate
[CAS# 90677-59-1]

Identification

• Name: Trisodium 2-[[4-chloro-6-morpholino-1,3,5-triazin-2-yl]amino]-5-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzene-1,4-disulphonate
• Synonyms: Trisodium 2-[(4-Chloro-6-Morpholino-1,3,5-Triazin-2-Yl)Amino]-5-[[1-(2-Chloro-5-Sulfonato-Phenyl)-3-Methyl-5-Oxo-4H-Pyrazol-4-Yl]Azo]Benzene-1,4-Disulfonate; Trisodium 2-[(4-Chloro-6-Morpholino-1,3,5-Triazin-2-Yl)Amino]-5-[[1-(2-Chloro-5-Sulfonatophenyl)-3
• Molecular Formula: C₂₃H₁₈Cl₂N₉Na₃O₁₁S₃
• Molecular Weight: 832.50
• CAS Registry Number: 90677-59-1
• EINECS: 292-662-4
• SMILES: C3=C(N=NC1C(=O)N(N=C1C)C2=C(Cl)C=CC(=C2)[S]([O-])(=O)=O)C(=CC(=C3[S]([O-])(=O)=O)NC4=NC(=NC(=N4)Cl)N5CCOCC5)[S]([O-])(=O)=O.[Na+].[Na+].[Na+]
• InChI: 1S/C23H21Cl2N9O11S3.3Na/c1-11-19(20(35)34(32-11)16-8-12(46(36,37)38)2-3-13(16)24)31-30-15-10-17(47(39,40)41)14(9-18(15)48(42,43)44)26-22-27-21(25)28-23(29-22)33-4-6-45-7-5-33;;;/h2-3,8-10,19H,4-7H2,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,26,27,28,29)
• InChIKey: PBOWVOYEXQZQSO-UHFFFAOYSA-K