N-[4-[2,4-Bis(1,1-Dimethylpropyl)Phenoxy]Butyl]-1-Hydroxy-4-[[[3-[[[5-Hydroxy-8-[[2-(Methylsulfonyl)-4-Nitrophenyl]Azo]-1-Naphthalenyl]Amino]Sulfonyl]Phenyl]Sulfonyl]Amino]-2-Naphthalenecarboxamide
[CAS# 42905-20-4]

Identification

• Name: N-[4-[2,4-Bis(1,1-Dimethylpropyl)Phenoxy]Butyl]-1-Hydroxy-4-[[[3-[[[5-Hydroxy-8-[[2-(Methylsulfonyl)-4-Nitrophenyl]Azo]-1-Naphthalenyl]Amino]Sulfonyl]Phenyl]Sulfonyl]Amino]-2-Naphthalenecarboxamide
• Synonyms: N-[4-[2,4-Bis(1,1-Dimethylpropyl)Phenoxy]Butyl]-1-Hydroxy-4-[[3-[[(8E)-8-[(2-Methylsulfonyl-4-Nitro-Phenyl)Hydrazono]-5-Oxo-1-Naphthyl]Sulfamoyl]Phenyl]Sulfonylamino]Naphthalene-2-Carboxamide; N-[4-[2,4-Bis(1,1-Dimethylpropyl)Phenoxy]Butyl]-1-Hydroxy-4-[[3-[[(8E)-8-[(2-Methylsulfonyl-4-Nitrophenyl)Hydrazono]-5-Oxo-1-Naphthyl]Sulfamoyl]Phenyl]Sulfonylamino]-2-Naphthalenecarboxamide; N-[4-(2,4-Ditert-Amylphenoxy)Butyl]-1-Hydroxy-4-[[3-[[(8E)-5-Keto-8-[(2-Mesyl-4-Nitro-Phenyl)Hydrazono]-1-Naphthyl]Sulfamoyl]Phenyl]Sulfonylamino]-2-Naphthamide
• Molecular Formula: C₅₄H₅₈N₆O₁₂S₃
• Molecular Weight: 1079.27
• CAS Registry Number: 42905-20-4
• SMILES: C1=C(C(CC)(C)C)C=CC(=C1C(CC)(C)C)OCCCCNC(=O)C3=C(O)C2=CC=CC=C2C(=C3)N[S](=O)(=O)C4=CC=CC(=C4)[S](=O)(=O)NC5=CC=CC7=C5/C(=N/NC6=C([S](=O)(=O)C)C=C([N+]([O-])=O)C=C6)C=CC7=O
• InChI: 1S/C54H58N6O12S3/c1-8-53(3,4)34-22-27-48(42(30-34)54(5,6)9-2)72-29-13-12-28-55-52(63)41-33-46(38-18-10-11-19-39(38)51(41)62)59-75(70,71)37-17-14-16-36(32-37)74(68,69)58-45-21-15-20-40-47(61)26-25-44(50(40)45)57-56-43-24-23-35(60(64)65)31-49(43)73(7,66)67/h10-11,14-27,30-33,56,58-59,62H,8-9,12-13,28-29H2,1-7H3,(H,55,63)/b57-44+
• InChIKey: UUXPALZZUVAXGZ-CCHJLRPZSA-N

Properties

• Density: 1.364g/cm³ (Cal.)