3-[5,6-bis(chloranyl)-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl]propane-1-sulfonic acid hydroxide

Systemtic Name: 3-[5,6-bis(chloranyl)-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl]propane-1-sulfonic acid hydroxide Openeye Name: 3-(5,6-dichloro-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)propane-1-sulfonic acid hydroxide CAS Name: 3-(5,6-dichloro-3-ethyl-2-methyl-1-benzimidazol-1-iumyl)-1-propanesulfonic acid hydroxide IUPAC Name: 3-(5,6-dichloro-3-ethyl-2-methylbenzimidazol-1-ium-1-yl)propane-1-sulfonic acid hydroxide Traditional Name: 3-(5,6-dichloro-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)propane-1-sulfonic acid hydroxide Formula: C13H18Cl2N2O4S MolecularWeight: 369.26402

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CCCS(=O)(=O)O)C.[OH-]

Isomeric SMILES

CCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CCCS(=O)(=O)O)C.[OH-]

InChI

InChI=1S/C13H16Cl2N2O3S.H2O/c1-3-16-9(2)17(5-4-6-21(18,19)20)13-8-11(15)10(14)7-12(13)16;/h7-8H,3-6H2,1-2H3;1H2