1-(6-chloranyl-5-cyano-1H-benzimidazol-2-yl)propane-1,3-disulfonic acid

Systemtic Name: 1-(6-chloranyl-5-cyano-1H-benzimidazol-2-yl)propane-1,3-disulfonic acid Openeye Name: 1-(6-chloro-5-cyano-1H-benzimidazol-2-yl)propane-1,3-disulfonic acid CAS Name: 1-(6-chloro-5-cyano-1H-benzimidazol-2-yl)propane-1,3-disulfonic acid IUPAC Name: 1-(6-chloro-5-cyano-1H-benzimidazol-2-yl)propane-1,3-disulfonic acid Traditional Name: 1-(6-chloro-5-cyano-1H-benzimidazol-2-yl)propane-1,3-disulfonic acid Formula: C11H10ClN3O6S2 MolecularWeight: 379.7966

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC2=C1N=C(N2)C(CCS(=O)(=O)O)S(=O)(=O)O)Cl)C#N

Isomeric SMILES

C1=C(C(=CC2=C1N=C(N2)C(CCS(=O)(=O)O)S(=O)(=O)O)Cl)C#N

InChI

InChI=1S/C11H10ClN3O6S2/c12-7-4-9-8(3-6(7)5-13)14-11(15-9)10(23(19,20)21)1-2-22(16,17)18/h3-4,10H,1-2H2,(H,14,15)(H,16,17,18)(H,19,20,21)