1H-benzimidazol-2-yl 6-[[5-(1H-benzimidazol-2-ylperoxymethyl)-1-oxidanidyl-pyridin-1-ium-2-yl]disulfanyl]-1-oxidanidyl-pyridin-1-ium-3-carboxylate

Systemtic Name: 1H-benzimidazol-2-yl 6-[[5-(1H-benzimidazol-2-ylperoxymethyl)-1-oxidanidyl-pyridin-1-ium-2-yl]disulfanyl]-1-oxidanidyl-pyridin-1-ium-3-carboxylate Openeye Name: 1H-benzimidazol-2-yl 6-[[5-(1H-benzimidazol-2-ylperoxymethyl)-1-oxido-pyridin-1-ium-2-yl]disulfanyl]-1-oxido-pyridin-1-ium-3-carboxylate CAS Name: 6-[[5-(1H-benzimidazol-2-yldioxymethyl)-1-oxido-2-pyridin-1-iumyl]disulfanyl]-1-oxido-3-pyridin-1-iumcarboxylic acid 1H-benzimidazol-2-yl ester IUPAC Name: 1H-benzimidazol-2-yl 6-[[5-(1H-benzimidazol-2-ylperoxymethyl)-1-oxidopyridin-1-ium-2-yl]disulfanyl]-1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 6-[[5-(1H-benzimidazol-2-ylperoxymethyl)-1-oxido-pyridin-1-ium-2-yl]disulfanyl]-1-oxido-pyridin-1-ium-3-carboxylic acid 1H-benzimidazol-2-yl ester Formula: C26H18N6O6S2 MolecularWeight: 574.58772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)OC(=O)C3=C[N+](=C(C=C3)SSC4=[N+](C=C(C=C4)COOC5=NC6=CC=CC=C6N5)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)OC(=O)C3=C[N+](=C(C=C3)SSC4=[N+](C=C(C=C4)COOC5=NC6=CC=CC=C6N5)[O-])[O-]

InChI

InChI=1S/C26H18N6O6S2/c33-24(37-25-27-18-5-1-2-6-19(18)28-25)17-10-12-23(32(35)14-17)40-39-22-11-9-16(13-31(22)34)15-36-38-26-29-20-7-3-4-8-21(20)30-26/h1-14H,15H2,(H,27,28)(H,29,30)