tetrasodium 5-[4-[[3-[[3-[[4-(3-carboxylato-4-hydroxy-5-sulfonato-phenyl)azo-5-methoxy-2-methyl-phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]-2-methoxy-5-methyl-phenyl]azo-2-hydroxy-3-sulfonato-benzoate
[CAS# 95008-89-2]

Identification

• Name: tetrasodium 5-[4-[[3-[[3-[[4-(3-carboxylato-4-hydroxy-5-sulfonato-phenyl)azo-5-methoxy-2-methyl-phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]-2-methoxy-5-methyl-phenyl]azo-2-hydroxy-3-sulfonato-benzoate
• Synonyms: tetrasodium 3,3'-[carbonylbis[imino-m-phenylenecarbonylimino(5-methoxy-2-methyl-p-phenylene)azo]]bis[6-hydroxy-5-sulphonatobenzoate]
• Molecular Formula: C₄₅H₃₄N₈Na₄O₁₇S₂
• Molecular Weight: 1114.88
• CAS Registry Number: 95008-89-2
• EINECS: 305-715-4
• SMILES: [Na+].[Na+].[Na+].[Na+].COc6cc(NC(=O)c4cccc(NC(=O)Nc1cc(ccc1)C(=O)Nc3cc(OC)c(N=Nc2cc(C([O-])=O)c(O)c(c2)S([O-])(=O)=O)cc3C)c4)c(C)cc6N=Nc5cc(C([O-])=O)c(O)c(c5)S([O-])(=O)=O
• InChI: 1S/C45H38N8O17S2.4Na/c1-21-11-33(52-50-27-15-29(43(58)59)39(54)37(17-27)71(63,64)65)35(69-3)19-31(21)48-41(56)23-7-5-9-25(13-23)46-45(62)47-26-10-6-8-24(14-26)42(57)49-32-20-36(70-4)34(12-22(32)2)53-51-28-16-30(44(60)61)40(55)38(18-28)72(66,67)68;;;;/h5-20,54-55H,1-4H3,(H,48,56)(H,49,57)(H,58,59)(H,60,61)(H2,46,47,62)(H,63,64,65)(H,66,67,68);;;;/q;4*+1/p-4
• InChIKey: KAKPKCICQLSMSJ-UHFFFAOYSA-J