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

Systemtic Name: 3-[5,6-bis(chloranyl)-3-ethyl-2-methyl-2H-benzimidazol-1-yl]propane-1-sulfonic acid Openeye Name: 3-(5,6-dichloro-3-ethyl-2-methyl-2H-benzimidazol-1-yl)propane-1-sulfonic acid CAS Name: 3-(5,6-dichloro-3-ethyl-2-methyl-2H-benzimidazol-1-yl)-1-propanesulfonic acid IUPAC Name: 3-(5,6-dichloro-3-ethyl-2-methyl-2H-benzimidazol-1-yl)propane-1-sulfonic acid Traditional Name: 3-(5,6-dichloro-3-ethyl-2-methyl-2H-benzimidazol-1-yl)propane-1-sulfonic acid Formula: C13H18Cl2N2O3S MolecularWeight: 353.26462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18Cl2N2O3S/c1-3-16-9(2)17(5-4-6-21(18,19)20)13-8-11(15)10(14)7-12(13)16/h7-9H,3-6H2,1-2H3,(H,18,19,20)