disodium 2-[4-(6-oxidanidylperoxysulfanyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-7-sulfo-3H-benzimidazole-5-sulfonate

Systemtic Name: disodium 2-[4-(6-oxidanidylperoxysulfanyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-7-sulfo-3H-benzimidazole-5-sulfonate Openeye Name: disodium 2-[4-(6-oxidoperoxysulfanyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-7-sulfo-3H-benzimidazole-5-sulfonate CAS Name: disodium 2-[4-[6-(oxidodioxythio)-4-sulfo-1H-benzimidazol-2-yl]phenyl]-7-sulfo-3H-benzimidazole-5-sulfonate IUPAC Name: disodium 2-[4-(6-oxidoperoxysulfanyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-7-sulfo-3H-benzimidazole-5-sulfonate Traditional Name: disodium 2-[4-[6-(oxidoperoxythio)-4-sulfo-1H-benzimidazol-2-yl]phenyl]-7-sulfo-3H-benzimidazole-5-sulfonate Formula: C20H12N4Na2O12S4 MolecularWeight: 674.56842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3N2)SOO[O-])S(=O)(=O)O)C4=NC5=C(C=C(C=C5N4)S(=O)(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(C=C(C=C3N2)SOO[O-])S(=O)(=O)O)C4=NC5=C(C=C(C=C5N4)S(=O)(=O)[O-])S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C20H14N4O12S4.2Na/c25-35-36-37-11-5-13-17(15(6-11)39(29,30)31)23-19(21-13)9-1-3-10(4-2-9)20-22-14-7-12(38(26,27)28)8-16(18(14)24-20)40(32,33)34;;/h1-8,25H,(H,21,23)(H,22,24)(H,26,27,28)(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2