ethyl 6-[(5-ethoxycarbonyl-1-oxidanidyl-pyridin-1-ium-2-yl)disulfanyl]-1-oxidanidyl-pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-[(5-ethoxycarbonyl-1-oxidanidyl-pyridin-1-ium-2-yl)disulfanyl]-1-oxidanidyl-pyridin-1-ium-3-carboxylate Openeye Name: ethyl 6-[(5-ethoxycarbonyl-1-oxido-pyridin-1-ium-2-yl)disulfanyl]-1-oxido-pyridin-1-ium-3-carboxylate CAS Name: 6-[(5-ethoxycarbonyl-1-oxido-2-pyridin-1-iumyl)disulfanyl]-1-oxido-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(5-ethoxycarbonyl-1-oxidopyridin-1-ium-2-yl)disulfanyl]-1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 6-[(5-carbethoxy-1-oxido-pyridin-1-ium-2-yl)disulfanyl]-1-oxido-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C16H16N2O6S2 MolecularWeight: 396.43804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[N+](=C(C=C1)SSC2=[N+](C=C(C=C2)C(=O)OCC)[O-])[O-]

Isomeric SMILES

CCOC(=O)C1=C[N+](=C(C=C1)SSC2=[N+](C=C(C=C2)C(=O)OCC)[O-])[O-]

InChI

InChI=1S/C16H16N2O6S2/c1-3-23-15(19)11-5-7-13(17(21)9-11)25-26-14-8-6-12(10-18(14)22)16(20)24-4-2/h5-10H,3-4H2,1-2H3