5-(Acetylamino)-4-Hydroxy-3-[2-[4-Methoxy-3-[[2-(Sulfooxy)Ethyl]Sulfonyl]Phenyl]Diazenyl]-2,7-Naphthalenedisulfonicacid Sodium Salt (1:3)
[CAS# 22094-98-0]

Identification

• Name: 5-(Acetylamino)-4-Hydroxy-3-[2-[4-Methoxy-3-[[2-(Sulfooxy)Ethyl]Sulfonyl]Phenyl]Diazenyl]-2,7-Naphthalenedisulfonicacid Sodium Salt (1:3)
• Synonyms: Trisodium (3E)-5-Acetamido-3-[[4-Methoxy-3-(2-Sulfonatooxyethylsulfonyl)Phenyl]Hydrazono]-4-Oxo-Naphthalene-2,7-Disulfonate; Trisodium (3E)-5-Acetamido-3-[[4-Methoxy-3-(2-Sulfonatooxyethylsulfonyl)Phenyl]Hydrazono]-4-Oxonaphthalene-2,7-Disulfonate; Trisodium (3E)-5-Acetamido-4-Keto-3-[[4-Methoxy-3-(2-Sulfatoethylsulfonyl)Phenyl]Hydrazono]Naphthalene-2,7-Disulfonate
• Molecular Formula: C₂₁H₁₈N₃Na₃O₁₅S₄
• Molecular Weight: 749.59
• CAS Registry Number: 22094-98-0
• EINECS: 244-777-6
• SMILES: C1=C([S]([O-])(=O)=O)C=C(NC(=O)C)C3=C1C=C([S]([O-])(=O)=O)/C(=N/NC2=CC(=C(OC)C=C2)[S](=O)(=O)CCO[S]([O-])(=O)=O)C3=O.[Na+].[Na+].[Na+]
• InChI: 1S/C21H21N3O15S4.3Na/c1-11(25)22-15-10-14(41(29,30)31)7-12-8-18(42(32,33)34)20(21(26)19(12)15)24-23-13-3-4-16(38-2)17(9-13)40(27,28)6-5-39-43(35,36)37;;;/h3-4,7-10,23H,5-6H2,1-2H3,(H,22,25)(H,29,30,31)(H,32,33,34)(H,35,36,37);;;/q;3*+1/p-3/b24-20-
• InChIKey: YDWHETMWXPSRRN-PWXBWHQESA-K