4-[[4-[[[4-[[1-(4,5-Dimethyl-3,6-Dioxo-2-Propyl-1,4-Cyclohexadien-1-Yl)Tetradecyl]Sulphonyl]Phenyl]Amino]Sulphonyl]Phenyl]Azo]-4,5-Dihydro-N-Methyl-5-Oxo-1-Phenyl-1H-Pyrazole-3-Carboxamide
[CAS# 84360-89-4]

Identification

• Name: 4-[[4-[[[4-[[1-(4,5-Dimethyl-3,6-Dioxo-2-Propyl-1,4-Cyclohexadien-1-Yl)Tetradecyl]Sulphonyl]Phenyl]Amino]Sulphonyl]Phenyl]Azo]-4,5-Dihydro-N-Methyl-5-Oxo-1-Phenyl-1H-Pyrazole-3-Carboxamide
• Synonyms: 4-[4-[[4-[1-(4,5-Dimethyl-3,6-Dioxo-2-Propyl-1-Cyclohexa-1,4-Dienyl)Tetradecylsulfonyl]Phenyl]Sulfamoyl]Phenyl]Azo-N-Methyl-5-Oxo-1-Phenyl-4H-Pyrazole-3-Carboxamide; 4-[4-[[4-[1-(3,6-Diketo-4,5-Dimethyl-2-Propyl-1-Cyclohexa-1,4-Dienyl)Tetradecylsulfonyl]Phenyl]Sulfamoyl]Phenyl]Azo-5-Keto-N-Methyl-1-Phenyl-4H-Pyrazole-3-Carboxamide; 4-((4-(((4-((1-(4,5-Dimethyl-3,6-Dioxo-2-Propyl-1,4-Cyclohexadien-1-Yl)Tetradecyl)Sulphonyl)Phenyl)Amino)Sulphonyl)Phenyl)Azo)-4,5-Dihydro-N-Methyl-5-Oxo-1-Phenyl-1H-Pyrazole-3-Carboxamide
• Molecular Formula: C₄₈H₆₀N₆O₈S₂
• Molecular Weight: 913.16
• CAS Registry Number: 84360-89-4
• EINECS: 282-731-7
• SMILES: C2=C([S](=O)(=O)C(C1=C(C(=O)C(=C(C1=O)C)C)CCC)CCCCCCCCCCCCC)C=CC(=C2)N[S](=O)(=O)C5=CC=C(N=NC3C(=NN(C3=O)C4=CC=CC=C4)C(=O)NC)C=C5
• InChI: 1S/C48H60N6O8S2/c1-6-8-9-10-11-12-13-14-15-16-20-24-41(42-40(21-7-2)45(55)33(3)34(4)46(42)56)63(59,60)38-29-27-36(28-30-38)53-64(61,62)39-31-25-35(26-32-39)50-51-44-43(47(57)49-5)52-54(48(44)58)37-22-18-17-19-23-37/h17-19,22-23,25-32,41,44,53H,6-16,20-21,24H2,1-5H3,(H,49,57)
• InChIKey: RRTWOLVAILJHDL-UHFFFAOYSA-N

Properties

• Density: 1.269g/cm³ (Cal.)