hexasodium 4-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo]-6-[[4-[[4-[2-[4-[[4-[[5-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo]-2,4-disulfonato-phenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]-3-sulfonato-phenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]benzene-1,3-disulfonate
[CAS# 68991-98-0]

Identification

• Name: hexasodium 4-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo]-6-[[4-[[4-[2-[4-[[4-[[5-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-3-pyridyl)azo]-2,4-disulfonato-phenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]-3-sulfonato-phenyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]benzene-1,3-disulfonate
• Synonyms: 1,3-Benzenedisulfonic acid, 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[6-[[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]azo]-, hexasodium salt
• Molecular Formula: C₅₀H₃₈Cl₂N₁₈Na₆O₂₄S₆
• Molecular Weight: 1676.18
• CAS Registry Number: 68991-98-0
• EINECS: 273-662-3
• SMILES: [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].C\C8=C(/C(=O)N)C(=O)N(CC)C(\O)=C8\N=Nc7cc(Nc1nc(nc(Cl)n1)Nc6ccc(C=Cc2ccc(cc2S([O-])(=O)=O)Nc3nc(nc(Cl)n3)Nc5cc(N=N/C4=C(\O)N(CC)C(=O)/C(=C4/C)C(N)=O)c(cc5S([O-])(=O)=O)S([O-])(=O)=O)c(c6)S([O-])(=O)=O)c(cc7S([O-])(=O)=O)S([O-])(=O)=O
• InChI: 1S/C50H44Cl2N18O24S6.6Na/c1-5-69-41(73)35(39(53)71)19(3)37(43(69)75)67-65-27-15-25(31(97(83,84)85)17-33(27)99(89,90)91)57-49-61-45(51)59-47(63-49)55-23-11-9-21(29(13-23)95(77,78)79)7-8-22-10-12-24(14-30(22)96(80,81)82)56-48-60-46(52)62-50(64-48)58-26-16-28(34(100(92,93)94)18-32(26)98(86,87)88)66-68-38-20(4)36(40(54)72)42(74)70(6-2)44(38)76;;;;;;/h7-18,75-76H,5-6H2,1-4H3,(H2,53,71)(H2,54,72)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H2,55,57,59,61,63)(H2,56,58,60,62,64);;;;;;/q;6*+1/p-6
• InChIKey: CIMREIWUKKSZFD-UHFFFAOYSA-H