5-(Acetylamino)-3-[[4-[[3-[[[4-[2,4-Bis(Tert-Pentyl)Phenoxy]Butyl]Amino]Carbonyl]-4-Hydroxy-1-Naphthyl]Oxy]Phenyl]Azo]-4-Hydroxynaphthalene-2,7-Disulphonic Acid
[CAS# 63217-28-7]

Identification

• Name: 5-(Acetylamino)-3-[[4-[[3-[[[4-[2,4-Bis(Tert-Pentyl)Phenoxy]Butyl]Amino]Carbonyl]-4-Hydroxy-1-Naphthyl]Oxy]Phenyl]Azo]-4-Hydroxynaphthalene-2,7-Disulphonic Acid
• Synonyms: 5-Acetamido-3-[[4-[3-[4-[2,4-Bis(2-Methylbutan-2-Yl)Phenoxy]Butylcarbamoyl]-4-Hydroxynaphthalen-1-Yl]Oxyphenyl]Hydrazinylidene]-4-Oxonaphthalene-2,7-Disulfonic Acid; 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-Disulfonic Acid; (3E)-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-Disulfonic Acid
• Molecular Formula: C₄₉H₅₄N₄O₁₂S₂
• Molecular Weight: 955.11
• CAS Registry Number: 63217-28-7
• EINECS: 264-024-5
• 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
• InChI: 1S/C49H54N4O12S2/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)/b53-44-
• InChIKey: UVHUZHKFHUCZQA-VIVIGYJNSA-N

Properties

• Density: 1.349g/cm³ (Cal.)