3-[3,4-bis(chloranyl)-6-ethyl-1-methyl-2H-benzimidazol-2-yl]propane-1-sulfonic acid

Systemtic Name: 3-[3,4-bis(chloranyl)-6-ethyl-1-methyl-2H-benzimidazol-2-yl]propane-1-sulfonic acid Openeye Name: 3-(3,4-dichloro-6-ethyl-1-methyl-2H-benzimidazol-2-yl)propane-1-sulfonic acid CAS Name: 3-(3,4-dichloro-6-ethyl-1-methyl-2H-benzimidazol-2-yl)-1-propanesulfonic acid IUPAC Name: 3-(3,4-dichloro-6-ethyl-1-methyl-2H-benzimidazol-2-yl)propane-1-sulfonic acid Traditional Name: 3-(3,4-dichloro-6-ethyl-1-methyl-2H-benzimidazol-2-yl)propane-1-sulfonic acid Formula: C13H18Cl2N2O3S MolecularWeight: 353.26462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C1)Cl)N(C(N2C)CCCS(=O)(=O)O)Cl

Isomeric SMILES

CCC1=CC2=C(C(=C1)Cl)N(C(N2C)CCCS(=O)(=O)O)Cl

InChI

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