disodium 2-[(6-sulfonato-1H-benzimidazol-2-yl)sulfanylmethylsulfanyl]-3H-benzimidazole-5-sulfonate

Systemtic Name: disodium 2-[(6-sulfonato-1H-benzimidazol-2-yl)sulfanylmethylsulfanyl]-3H-benzimidazole-5-sulfonate Openeye Name: disodium 2-[(6-sulfonato-1H-benzimidazol-2-yl)sulfanylmethylsulfanyl]-3H-benzimidazole-5-sulfonate CAS Name: disodium 2-[[(6-sulfonato-1H-benzimidazol-2-yl)thio]methylthio]-3H-benzimidazole-5-sulfonate IUPAC Name: disodium 2-[(6-sulfonato-1H-benzimidazol-2-yl)sulfanylmethylsulfanyl]-3H-benzimidazole-5-sulfonate Traditional Name: disodium 2-[[(6-sulfonato-1H-benzimidazol-2-yl)thio]methylthio]-3H-benzimidazole-5-sulfonate Formula: C15H10N4Na2O6S4 MolecularWeight: 516.50264

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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-].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)[O-])NC(=N2)SCSC3=NC4=C(N3)C=C(C=C4)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C15H12N4O6S4.2Na/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);;/q;2*+1/p-2