2-[4-[(1,3-Dioxo-3-Phenylpropyl)Amino]Phenyl]-1-Octadecyl-1H-Benzimidazole-5-Sulphonic Acid
[CAS# 5149-72-4]

Identification

• Name: 2-[4-[(1,3-Dioxo-3-Phenylpropyl)Amino]Phenyl]-1-Octadecyl-1H-Benzimidazole-5-Sulphonic Acid
• Synonyms: 1-Octadecyl-2-[4-[(3-Oxo-3-Phenyl-Propanoyl)Amino]Phenyl]Benzimidazole-5-Sulfonic Acid; 2-[4-[(1,3-Dioxo-3-Phenylpropyl)Amino]Phenyl]-1-Octadecyl-5-Benzimidazolesulfonic Acid; 2-[4-[(3-Keto-3-Phenyl-Propanoyl)Amino]Phenyl]-1-Stearyl-Benzimidazole-5-Sulfonic Acid
• Molecular Formula: C₄₀H₅₃N₃O₅S
• Molecular Weight: 687.94
• CAS Registry Number: 5149-72-4
• EINECS: 225-920-1
• SMILES: C2=C1N=C([N](C1=CC=C2[S](O)(=O)=O)CCCCCCCCCCCCCCCCCC)C4=CC=C(NC(=O)CC(=O)C3=CC=CC=C3)C=C4
• InChI: 1S/C40H53N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29-43-37-28-27-35(49(46,47)48)30-36(37)42-40(43)33-23-25-34(26-24-33)41-39(45)31-38(44)32-21-18-17-19-22-32/h17-19,21-28,30H,2-16,20,29,31H2,1H3,(H,41,45)(H,46,47,48)
• InChIKey: ZCDJHOQJPIXSCQ-UHFFFAOYSA-N

Properties

• Density: 1.161g/cm³ (Cal.)