Ammonium sodium 5-methoxy-4-({2-[(2-methoxy-5-methyl-4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-3-oxobutanoyl}amino)-2-methylbenzenesulfonate (1:1:1)
[CAS# 85940-64-3]

Identification

• Name: Ammonium sodium 5-methoxy-4-({2-[(2-methoxy-5-methyl-4-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)diazenyl]-3-oxobutanoyl}amino)-2-methylbenzenesulfonate (1:1:1)
• Synonyms: ammonium sodium 5-methoxy-4-[[2-[[2-methoxy-5-methyl-4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-1,3-dioxobutyl]amino]-2-methylbenzenesulphonate
• Molecular Formula: C₂₂H₂₉N₄NaO₁₃S₃
• Molecular Weight: 676.67
• CAS Registry Number: 85940-64-3
• EINECS: 288-952-5
• SMILES: [NH4+].[Na+].COc2cc(c(C)cc2N=NC(C(C)=O)C(=O)Nc1cc(C)c(cc1OC)S([O-])(=O)=O)S(=O)(=O)CCOS([O-])(=O)=O
• InChI: 1S/C22H27N3O13S3.H3N.Na/c1-12-9-16(18(37-5)10-19(12)39(28,29)7-6-38-41(33,34)35)24-25-21(14(3)26)22(27)23-15-8-13(2)20(40(30,31)32)11-17(15)36-4;;/h8-11,21H,6-7H2,1-5H3,(H,23,27)(H,30,31,32)(H,33,34,35);1H3;/q;;+1/p-1
• InChIKey: LEKJZKMNUQOOBO-UHFFFAOYSA-M