2-[(6-sulfo-1H-benzimidazol-2-yl)sulfanylmethylsulfanyl]-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-[(6-sulfo-1H-benzimidazol-2-yl)sulfanylmethylsulfanyl]-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-[(6-sulfo-1H-benzimidazol-2-yl)sulfanylmethylsulfanyl]-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[[(6-sulfo-1H-benzimidazol-2-yl)thio]methylthio]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-[(6-sulfo-1H-benzimidazol-2-yl)sulfanylmethylsulfanyl]-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[[(6-sulfo-1H-benzimidazol-2-yl)thio]methylthio]-3H-benzimidazole-5-sulfonic acid Formula: C15H12N4O6S4 MolecularWeight: 472.53898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)NC(=N2)SCSC3=NC4=C(N3)C=C(C=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)NC(=N2)SCSC3=NC4=C(N3)C=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C15H12N4O6S4/c20-28(21,22)8-1-3-10-12(5-8)18-14(16-10)26-7-27-15-17-11-4-2-9(29(23,24)25)6-13(11)19-15/h1-6H,7H2,(H,16,18)(H,17,19)(H,20,21,22)(H,23,24,25)