2-[4-[[[4-[2,5-Dihydro-2-Oxo-5-[(1-Phenyl-1H-Tetrazol-5-Yl)Thio]-4-Oxazolyl]Phenoxy]Acetyl]Amino]Phenyl]-1-Octadecyl-1H-Benzimidazole-5-Sulphonic Acid
[CAS# 68978-46-1]

Identification

• Name: 2-[4-[[[4-[2,5-Dihydro-2-Oxo-5-[(1-Phenyl-1H-Tetrazol-5-Yl)Thio]-4-Oxazolyl]Phenoxy]Acetyl]Amino]Phenyl]-1-Octadecyl-1H-Benzimidazole-5-Sulphonic Acid
• Synonyms: 1-Octadecyl-2-[4-[[2-[4-[2-Oxo-5-(1-Phenyltetrazol-5-Yl)Sulfanyl-5H-Oxazol-4-Yl]Phenoxy]Acetyl]Amino]Phenyl]Benzimidazole-5-Sulfonic Acid; 1-Octadecyl-2-[4-[[1-Oxo-2-[4-[2-Oxo-5-[(1-Phenyl-5-Tetrazolyl)Thio]-5H-Oxazol-4-Yl]Phenoxy]Ethyl]Amino]Phenyl]-5-Benzimidazolesulfonic Acid; 2-[4-[[2-[4-[2-Keto-5-[(1-Phenyltetrazol-5-Yl)Thio]-5H-Oxazol-4-Yl]Phenoxy]Acetyl]Amino]Phenyl]-1-Stearyl-Benzimidazole-5-Sulfonic Acid
• Molecular Formula: C₄₉H₅₈N₈O₇S₂
• Molecular Weight: 935.17
• CAS Registry Number: 68978-46-1
• EINECS: 273-485-1
• SMILES: C1=C([S](=O)(=O)O)C=CC2=C1N=C([N]2CCCCCCCCCCCCCCCCCC)C7=CC=C(NC(=O)COC6=CC=C(C3=NC(OC3SC4=NN=N[N]4C5=CC=CC=C5)=O)C=C6)C=C7
• InChI: 1S/C49H58N8O7S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33-56-43-32-31-41(66(60,61)62)34-42(43)51-46(56)37-23-27-38(28-24-37)50-44(58)35-63-40-29-25-36(26-30-40)45-47(64-49(59)52-45)65-48-53-54-55-57(48)39-21-18-17-19-22-39/h17-19,21-32,34,47H,2-16,20,33,35H2,1H3,(H,50,58)(H,60,61,62)
• InChIKey: DRCNWDNZGJQRLE-UHFFFAOYSA-N

Properties

• Density: 1.322g/cm³ (Cal.)