RefChem:79710
2-acetyloxy-3-(5,6-dichloro-3-ethyl-2-methylbenzimidazol-1-ium-1-yl)propane-1-sulfonate
Also Known As: EINECS 269-459-4|1H-Benzimidazolium, 1-(2-(acetyloxy)-3-sulfopropyl)-5,6-dichloro-3-ethyl-2-methyl-, inner salt|1-Ethyl-2-methyl-3-(2'-acetoxy-3'-sulfopropyl)-5,6-dichlorobenzimidazolium hydroxide inner salt|1H-Benzimidazolium, 3-(2-(acetyloxy)-3-sulfopropyl)-5,6-dichloro-1-ethyl-2-methyl-, inner salt|1H-Benzimidazolium, 3-[2-(acetyloxy)-3-sulfopropyl]-5,6-dichloro-1-ethyl-2-methyl-, inner salt|1H-Benzimidazolium, 1-[2-(acetyloxy)-3-sulfopropyl]-5,6-dichloro-3-ethyl-2-methyl-, inner salt|1-(2-(Acetoxy)-3-sulphonatopropyl)-5,6-dichloro-3-ethyl-2-methyl-1H-benzimidazolium|1-[2- -3-sulphonatopropyl]-5,6-dichloro-3-ethyl-2-methyl-1H-benzimidazolium|1-[2-(acetoxy)-3-sulphonatopropyl]-5,6-dichloro-3-ethyl-2-methyl-1H-benzimidazolium|1-[2-(acetoxy)-3-sulphonatopropyl]-5,6-dichloro-3-ethyl-2-methyl-1h-benzo[d]imidazolium|1-[2-(Acetyloxy)-3-sulfonatopropyl]-5,6-dichloro-3-ethyl-2-methyl-1H-benzimidazol-3-ium|2-acetyloxy-3-(5,6-dichloro-3-ethyl-2-methylbenzimidazol-1-ium-1-yl)propane-1-sulfonate|1-[2-(acetyloxy)-3-sulfonatopropyl]-5,6-dichloro-3-ethyl-2-methyl-1H-1,3-benzodiazol-3-ium|1H-Benzimidazolium, 1-[2-(acetyloxy)-3-sulfopropyl]-5,6-dichloro-3-ethyl-2-methyl-, hydroxide, inner salt|2-(Acetyloxy)-3-(5,6-dichloro-1-ethyl-2-methyl-1H-benzimidazol-3-ium-3-yl)propane-1-sulfonate
| Molecular Formula | C15H18Cl2N2O5S |
|---|---|
| Molecular Weight | 408.03134 g/mol |
| LogP | 2.04 |
| Topological Polar Surface Area | 92.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.03134 |
| Heavy Atoms | 25 |
| Complexity | 923.9 |
Chemical Identifiers
| CAS Number | 68239-66-7 |
|---|---|
| SMILES | CCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CC(CS(=O)(=O)[O-])OC(=O)C)C |
Product Overview
RefChem:79710 (CAS 68239-66-7), with molecular formula C15H18Cl2N2O5S and molecular weight 408.03134 g/mol. IUPAC: 2-acetyloxy-3-(5,6-dichloro-3-ethyl-2-methylbenzimidazol-1-ium-1-yl)propane-1-sulfonate.
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