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

Systemtic Name: 3-[5,6-bis(chloranyl)-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-(5,6-dichloro-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)-2-hydroxy-propane-1-sulfonic acid CAS Name: 3-(5,6-dichloro-3-ethyl-2-methyl-1-benzimidazol-1-iumyl)-2-hydroxy-1-propanesulfonic acid IUPAC Name: 3-(5,6-dichloro-3-ethyl-2-methylbenzimidazol-1-ium-1-yl)-2-hydroxypropane-1-sulfonic acid Traditional Name: 3-(5,6-dichloro-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)-2-hydroxy-propane-1-sulfonic acid Formula: C13H17Cl2N2O4S+ MolecularWeight: 368.25608

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CC(CS(=O)(=O)O)O)C

Isomeric SMILES

CCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CC(CS(=O)(=O)O)O)C

InChI

InChI=1S/C13H16Cl2N2O4S/c1-3-16-8(2)17(6-9(18)7-22(19,20)21)13-5-11(15)10(14)4-12(13)16/h4-5,9,18H,3,6-7H2,1-2H3/p+1