[5-chloranyl-3-ethyl-6-(methylperoxymethyl)benzimidazol-1-ium-1-yl]methanesulfonic acid

Systemtic Name: [5-chloranyl-3-ethyl-6-(methylperoxymethyl)benzimidazol-1-ium-1-yl]methanesulfonic acid Openeye Name: [5-chloro-3-ethyl-6-(methylperoxymethyl)benzimidazol-1-ium-1-yl]methanesulfonic acid CAS Name: [5-chloro-3-ethyl-6-(methyldioxymethyl)-1-benzimidazol-1-iumyl]methanesulfonic acid IUPAC Name: [5-chloro-3-ethyl-6-(methylperoxymethyl)benzimidazol-1-ium-1-yl]methanesulfonic acid Traditional Name: [5-chloro-3-ethyl-6-(methylperoxymethyl)benzimidazol-1-ium-1-yl]methanesulfonic acid Formula: C12H16ClN2O5S+ MolecularWeight: 335.78384

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=[N+](C2=C1C=C(C(=C2)COOC)Cl)CS(=O)(=O)O

Isomeric SMILES

CCN1C=[N+](C2=C1C=C(C(=C2)COOC)Cl)CS(=O)(=O)O

InChI

InChI=1S/C12H15ClN2O5S/c1-3-14-7-15(8-21(16,17)18)11-4-9(6-20-19-2)10(13)5-12(11)14/h4-5,7H,3,6,8H2,1-2H3/p+1