2-[2-[2,5-dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-N-[2,5-dimethoxy-4-(sulfooxy)phenyl]-3-oxo-Butanamide sodium salt (1:1)
[CAS# 93962-60-8]

Identification

• Name: 2-[2-[2,5-dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-N-[2,5-dimethoxy-4-(sulfooxy)phenyl]-3-oxo-Butanamide sodium salt (1:1)
• Synonyms: 2-[[2,5-dimethoxy-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-N-[2,5-dimethoxy-4-(sulphooxy)phenyl]-3-oxobutyramide, sodium salt
• Molecular Formula: C₂₂H₂₇N₃NaO₁₆S₃
• Molecular Weight: 708.64
• CAS Registry Number: 93962-60-8
• EINECS: 300-696-9
• SMILES: [Na+].COc2cc(NC(=O)C(N=Nc1cc(OC)c(cc1OC)S(=O)(=O)CCOS(O)(=O)=O)C(C)=O)c(cc2OS(O)(=O)=O)OC
• InChI: 1S/C22H27N3O16S3.Na/c1-12(26)21(22(27)23-13-8-17(38-4)18(10-15(13)36-2)41-44(33,34)35)25-24-14-9-19(39-5)20(11-16(14)37-3)42(28,29)7-6-40-43(30,31)32;/h8-11,21H,6-7H2,1-5H3,(H,23,27)(H,30,31,32)(H,33,34,35);/q;+1
• InChIKey: NIBZBGNFUYDGRC-UHFFFAOYSA-N