Hydrogen sodium 4-[(4-{[(5-hydroxy-7-sulfonato-2-naphthyl)carbamoyl]amino}-5-methoxy-2-methylphenyl)diazenyl]-5-[(phenylsulfonyl)oxy]-2,7-naphthalenedisulfonate (1:2:1)
[CAS# 83949-44-4]

Identification

• Name: Hydrogen sodium 4-[(4-{[(5-hydroxy-7-sulfonato-2-naphthyl)carbamoyl]amino}-5-methoxy-2-methylphenyl)diazenyl]-5-[(phenylsulfonyl)oxy]-2,7-naphthalenedisulfonate (1:2:1)
• Synonyms: disodium hydrogen 4-[[4-[[[(5-hydroxy-7-sulphonato-2-naphthyl)amino]carbonyl]amino]-5-methoxy-o-tolyl]azo]-5-[(phenylsulphonyl)oxy]naphthalene-2,7-disulphonate
• Molecular Formula: C₃₅H₂₆N₄Na₂O₁₅S₄
• Molecular Weight: 916.84
• CAS Registry Number: 83949-44-4
• EINECS: 281-405-1
• SMILES: [H+].[Na+].[Na+].COc6cc(N=Nc3cc(cc2cc(cc(OS(=O)(=O)c1ccccc1)c23)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6NC(=O)Nc4cc5cc(cc(O)c5cc4)S([O-])(=O)=O
• InChI: 1S/C35H28N4O15S4.2Na/c1-19-10-29(37-35(41)36-22-8-9-27-20(11-22)12-25(16-31(27)40)56(45,46)47)32(53-2)18-28(19)38-39-30-15-24(55(42,43)44)13-21-14-26(57(48,49)50)17-33(34(21)30)54-58(51,52)23-6-4-3-5-7-23;;/h3-18,40H,1-2H3,(H2,36,37,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2
• InChIKey: AGNRGRUSTZUISH-UHFFFAOYSA-L