Trisodium 4-[(4-{3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfonatophenyl}-6-chloro-1,3,5-triazin-2-yl)amino]-6-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydro-3-pyridinyl)diazenyl] -1,3-benzenedisulfonate
[CAS# 73455-11-5]

Identification

• Name: Trisodium 4-[(4-{3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfonatophenyl}-6-chloro-1,3,5-triazin-2-yl)amino]-6-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydro-3-pyridinyl)diazenyl] -1,3-benzenedisulfonate
• Synonyms: 1,3-Benzenedisulfonic acid, 4-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]azo]-6-[[4-[3-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]-6-chloro-1,3,5-triazin-2-yl]amino]-, trisodium salt
• Molecular Formula: C₂₇H₂₀Cl₂N₁₃Na₃O₁₂S₃
• Molecular Weight: 954.60
• CAS Registry Number: 73455-11-5
• EINECS: 277-474-2
• SMILES: [Na+].[Na+].[Na+].O=C5/C(=C(/C)\C(\N=Nc4cc(Nc1nc(nc(Cl)n1)c3ccc(c(Nc2nc(N)nc(Cl)n2)c3)S([O-])(=O)=O)c(cc4S([O-])(=O)=O)S([O-])(=O)=O)=C(\O)N5CC)C(N)=O
• InChI: 1S/C27H23Cl2N13O12S3.3Na/c1-3-42-21(44)17(19(30)43)9(2)18(22(42)45)41-40-13-7-12(15(56(49,50)51)8-16(13)57(52,53)54)33-26-35-20(34-23(28)37-26)10-4-5-14(55(46,47)48)11(6-10)32-27-38-24(29)36-25(31)39-27;;;/h4-8,45H,3H2,1-2H3,(H2,30,43)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,33,34,35,37)(H3,31,32,36,38,39);;;/q;3*+1/p-3
• InChIKey: YJGQQTXABJUWJQ-UHFFFAOYSA-K