2-(4-nitrophenyl)-1-octadecyl-3h-benzimidazol-1-ium-5-sulfonic acid (CHEM347632)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-31 17:37:15 UTC | ||||||||
| Update Date | 2026-08-31 17:37:15 UTC | ||||||||
| Accession Number | CHEM347632 | ||||||||
| Identification | |||||||||
| Common Name | 2-(4-nitrophenyl)-1-octadecyl-3h-benzimidazol-1-ium-5-sulfonic acid | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C31H46N3O5S+ | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 572.316 g/mol | ||||||||
| CAS Registry Number | Not Available | ||||||||
| IUPAC Name | 2-(4-nitrophenyl)-1-octadecyl-3h-benzimidazol-1-ium-5-sulfonic acid | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCCCCCCCCCCCCCC[N+]1=C(NC2=C1C=CC(=C2)S(=O)(=O)O)C3=CC=C(C=C3)[N+](=O)[O-] | ||||||||
| InChI Identifier | 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)/p+1 | ||||||||
| InChI Key | IKTATFPKRSYODN-UHFFFAOYSA-O | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
