4-(Benzoylamino)-6-[2-[5-[[[(2,3-Dichloro-6-Quinoxalinyl)Carbonyl]Methylamino]Methyl]-2-Sulfophenyl]Diazenyl]-5-Hydroxy-1,7-Naphthalenedisulfonicacid Sodium Salt (1:3)
[CAS# 83399-99-9]

Identification

• Name: 4-(Benzoylamino)-6-[2-[5-[[[(2,3-Dichloro-6-Quinoxalinyl)Carbonyl]Methylamino]Methyl]-2-Sulfophenyl]Diazenyl]-5-Hydroxy-1,7-Naphthalenedisulfonicacid Sodium Salt (1:3)
• Synonyms: Trisodium (6E)-4-(Benzoylamino)-6-[[5-[[[2-(2,3-Dichloroquinoxalin-6-Yl)-2-Keto-Ethyl]Amino]Methyl]-2-Sulfonato-Phenyl]Hydrazono]-5-Keto-Naphthalene-1,7-Disulfonate; Trisodium (6E)-4-(Benzoylamino)-6-[[5-[[[2-(2,3-Dichloroquinoxalin-6-Yl)-2-Oxo-Ethyl]Amino]Methyl]-2-Sulfonato-Phenyl]Hydrazono]-5-Oxo-Naphthalene-1,7-Disulfonate; Trisodium (6E)-6-[[5-[[[2-(2,3-Dichloro-6-Quinoxalinyl)-2-Oxoethyl]Amino]Methyl]-2-Sulfonatophenyl]Hydrazono]-5-Oxo-4-[(Oxo-Phenylmethyl)Amino]Naphthalene-1,7-Disulfonate
• Molecular Formula: C₃₄H₂₁Cl₂N₆Na₃O₁₂S₃
• Molecular Weight: 941.63
• CAS Registry Number: 83399-99-9
• EINECS: 280-413-2
• SMILES: C1=CC(=C5C(=C1[S]([O-])(=O)=O)C=C([S]([O-])(=O)=O)/C(=N/NC2=C([S]([O-])(=O)=O)C=CC(=C2)CNCC(=O)C4=CC3=C(N=C(Cl)C(=N3)Cl)C=C4)C5=O)NC(=O)C6=CC=CC=C6.[Na+].[Na+].[Na+]
• InChI: 1S/C34H24Cl2N6O12S3.3Na/c35-32-33(36)39-23-13-19(7-8-21(23)38-32)25(43)16-37-15-17-6-10-27(56(49,50)51)24(12-17)41-42-30-28(57(52,53)54)14-20-26(55(46,47)48)11-9-22(29(20)31(30)44)40-34(45)18-4-2-1-3-5-18;;;/h1-14,37,41H,15-16H2,(H,40,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;/q;3*+1/p-3/b42-30-
• InChIKey: XSZPPVQRWCOZBV-NATQMMOCSA-K