3-[5,6-bis(chloranyl)-3-ethyl-2-methyl-2H-benzimidazol-1-yl]-2-sulfo-propanoic acid hydroxide

Systemtic Name: 3-[5,6-bis(chloranyl)-3-ethyl-2-methyl-2H-benzimidazol-1-yl]-2-sulfo-propanoic acid hydroxide Openeye Name: 3-(5,6-dichloro-3-ethyl-2-methyl-2H-benzimidazol-1-yl)-2-sulfo-propanoic acid hydroxide CAS Name: 3-(5,6-dichloro-3-ethyl-2-methyl-2H-benzimidazol-1-yl)-2-sulfopropanoic acid hydroxide IUPAC Name: 3-(5,6-dichloro-3-ethyl-2-methyl-2H-benzimidazol-1-yl)-2-sulfopropanoic acid hydroxide Traditional Name: 3-(5,6-dichloro-3-ethyl-2-methyl-2H-benzimidazol-1-yl)-2-sulfo-propionic acid hydroxide Formula: C13H17Cl2N2O6S- MolecularWeight: 400.25488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16Cl2N2O5S.H2O/c1-3-16-7(2)17(6-12(13(18)19)23(20,21)22)11-5-9(15)8(14)4-10(11)16;/h4-5,7,12H,3,6H2,1-2H3,(H,18,19)(H,20,21,22);1H2/p-1