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

Systemtic Name: 3-[5,6-bis(chloranyl)-3-ethyl-2-methyl-2H-benzimidazol-1-yl]-2-sulfo-propanoic acid Openeye Name: 3-(5,6-dichloro-3-ethyl-2-methyl-2H-benzimidazol-1-yl)-2-sulfo-propanoic acid CAS Name: 3-(5,6-dichloro-3-ethyl-2-methyl-2H-benzimidazol-1-yl)-2-sulfopropanoic acid IUPAC Name: 3-(5,6-dichloro-3-ethyl-2-methyl-2H-benzimidazol-1-yl)-2-sulfopropanoic acid Traditional Name: 3-(5,6-dichloro-3-ethyl-2-methyl-2H-benzimidazol-1-yl)-2-sulfo-propionic acid Formula: C13H16Cl2N2O5S MolecularWeight: 383.24754

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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

Isomeric SMILES

CCN1C(N(C2=CC(=C(C=C21)Cl)Cl)CC(C(=O)O)S(=O)(=O)O)C

InChI

InChI=1S/C13H16Cl2N2O5S/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)