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

Systemtic Name: 1-(5-chloranyl-6-cyano-2-methanoyl-benzimidazol-2-yl)propane-1,3-disulfonic acid Openeye Name: 1-(5-chloro-6-cyano-2-formyl-benzimidazol-2-yl)propane-1,3-disulfonic acid CAS Name: 1-(5-chloro-6-cyano-2-formyl-2-benzimidazolyl)propane-1,3-disulfonic acid IUPAC Name: 1-(5-chloro-6-cyano-2-formylbenzimidazol-2-yl)propane-1,3-disulfonic acid Traditional Name: 1-(5-chloro-6-cyano-2-formyl-benzimidazol-2-yl)propane-1,3-disulfonic acid Formula: C12H10ClN3O7S2 MolecularWeight: 407.8067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC2=NC(N=C21)(C=O)C(CCS(=O)(=O)O)S(=O)(=O)O)Cl)C#N

Isomeric SMILES

C1=C(C(=CC2=NC(N=C21)(C=O)C(CCS(=O)(=O)O)S(=O)(=O)O)Cl)C#N

InChI

InChI=1S/C12H10ClN3O7S2/c13-8-4-10-9(3-7(8)5-14)15-12(6-17,16-10)11(25(21,22)23)1-2-24(18,19)20/h3-4,6,11H,1-2H2,(H,18,19,20)(H,21,22,23)