5-(Acetylamino)-3-((4-((3-(((4-(2,4-bis(1,1-dimethylpropyl)phenoxy)butyl)amino)carbonyl)-4-hydroxy-1-naphthalenyl)oxy)phenyl)azo)-4-hydroxy-2,7-naphthalenedisulfonic acid disodium salt
[CAS# 63059-47-2]

Identification

• Name: 5-(Acetylamino)-3-((4-((3-(((4-(2,4-bis(1,1-dimethylpropyl)phenoxy)butyl)amino)carbonyl)-4-hydroxy-1-naphthalenyl)oxy)phenyl)azo)-4-hydroxy-2,7-naphthalenedisulfonic acid disodium salt
• Synonyms: Disodium (3Z)-5-Acetamido-3-[[4-[[3-[4-[2,4-Bis(1,1-Dimethylpropyl)Phenoxy]Butylcarbamoyl]-4-Hydroxy-1-Naphthyl]Oxy]Phenyl]Hydrazono]-4-Oxo-Naphthalene-2,7-Disulfonate; Disodium (3Z)-5-Acetamido-3-[[4-[[3-[[4-[2,4-Bis(1,1-Dimethylpropyl)Phenoxy]Butylamino]-Oxomethyl]-4-Hydroxy-1-Naphthyl]Oxy]Phenyl]Hydrazono]-4-Oxonaphthalene-2,7-Disulfonate; Disodium (3Z)-5-Acetamido-3-[[4-[[3-[4-(2,4-Ditert-Amylphenoxy)Butylcarbamoyl]-4-Hydroxy-1-Naphthyl]Oxy]Phenyl]Hydrazono]-4-Keto-Naphthalene-2,7-Disulfonate
• Molecular Formula: C₄₉H₅₂N₄Na₂O₁₂S₂
• Molecular Weight: 999.07
• CAS Registry Number: 63059-47-2
• SMILES: C1=C(C(CC)(C)C)C=CC(=C1C(CC)(C)C)OCCCCNC(=O)C3=C(O)C2=CC=CC=C2C(=C3)OC6=CC=C(N\N=C5/C(=CC4=C(C(=CC(=C4)[S]([O-])(=O)=O)NC(=O)C)C5=O)[S]([O-])(=O)=O)C=C6.[Na+].[Na+]
• InChI: 1S/C49H54N4O12S2.2Na/c1-8-48(4,5)31-16-21-40(38(26-31)49(6,7)9-2)64-23-13-12-22-50-47(57)37-28-41(35-14-10-11-15-36(35)45(37)55)65-33-19-17-32(18-20-33)52-53-44-42(67(61,62)63)25-30-24-34(66(58,59)60)27-39(51-29(3)54)43(30)46(44)56;;/h10-11,14-21,24-28,52,55H,8-9,12-13,22-23H2,1-7H3,(H,50,57)(H,51,54)(H,58,59,60)(H,61,62,63);;/q;2*+1/p-2/b53-44+
• InChIKey: XKQAAYVSBKPALG-IOPRIZFLSA-L