Trisodium 4-({1-Hydroxy-6-[({5-Hydroxy-6-[(2-Methoxybenzyl)Diazenyl]-7-Sulfonato-2-Naphthyl}Carbamoyl)Amino]-3-Sulfonato-2-Naphthyl}Diazenyl)-1-Naphthalenesulfonate
[CAS# 3687-80-7]

Identification

• Name: Trisodium 4-({1-Hydroxy-6-[({5-Hydroxy-6-[(2-Methoxybenzyl)Diazenyl]-7-Sulfonato-2-Naphthyl}Carbamoyl)Amino]-3-Sulfonato-2-Naphthyl}Diazenyl)-1-Naphthalenesulfonate
• Synonyms: trisodium 4-[[6-[[[[6-[(o-anisyl)azo]-5-hydroxy-7-sulphonato-2-naphthyl]amino]carbonyl]amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1-sulphonate
• Molecular Formula: C₃₉H₂₇N₆Na₃O₁₃S₃
• Molecular Weight: 952.83
• CAS Registry Number: 3687-80-7
• EINECS: 222-984-2
• SMILES: [Na+].[Na+].[Na+].COc7ccccc7CN=Nc6c(cc5cc(NC(=O)Nc3cc4cc(c(N=Nc2ccc(c1ccccc12)S([O-])(=O)=O)c(O)c4cc3)S([O-])(=O)=O)ccc5c6O)S([O-])(=O)=O
• InChI: 1S/C39H30N6O13S3.3Na/c1-58-31-9-5-2-6-21(31)20-40-44-35-33(60(52,53)54)18-22-16-24(10-12-26(22)37(35)46)41-39(48)42-25-11-13-27-23(17-25)19-34(61(55,56)57)36(38(27)47)45-43-30-14-15-32(59(49,50)51)29-8-4-3-7-28(29)30;;;/h2-19,46-47H,20H2,1H3,(H2,41,42,48)(H,49,50,51)(H,52,53,54)(H,55,56,57);;;/q;3*+1/p-3
• InChIKey: HQASNQAHAQNZOY-UHFFFAOYSA-K