2-(4-Nitrophenyl)-1-Octadecyl-1H-Benzimidazole-5-Sulphonic Acid
[CAS# 61813-45-4]

Identification

• Name: 2-(4-Nitrophenyl)-1-Octadecyl-1H-Benzimidazole-5-Sulphonic Acid
• Synonyms: 2-(4-Nitrophenyl)-1-Stearyl-3H-Benzimidazol-1-Ium-5-Sulfonate; 1H-Benzimidazole-5-Sulfonic Acid, 2-(4-Nitrophenyl)-1-Octadecyl-; 2-(4-Nitrophenyl)-1-Octadecyl-1H-Benzimidazole-5-Sulphonic Acid
• Molecular Formula: C₃₁H₄₅N₃O₅S
• Molecular Weight: 571.77
• CAS Registry Number: 61813-45-4
• EINECS: 263-241-2
• SMILES: C1=C([S]([O-])(=O)=O)C=CC2=C1[NH+]=C([N]2CCCCCCCCCCCCCCCCCC)C3=CC=C([N+]([O-])=O)C=C3
• InChI: 1S/C31H45N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-33-30-23-22-28(40(37,38)39)25-29(30)32-31(33)26-18-20-27(21-19-26)34(35)36/h18-23,25H,2-17,24H2,1H3,(H,37,38,39)
• InChIKey: IKTATFPKRSYODN-UHFFFAOYSA-N

Properties

• Density: 1.18g/cm³ (Cal.)