calcium 1-oxidanidyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium sulfate

Systemtic Name: calcium 1-oxidanidyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium sulfate Openeye Name: calcium 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium sulfate CAS Name: calcium 1-oxido-2-[(1-oxido-2-pyridin-1-iumyl)disulfanyl]pyridin-1-ium sulfate IUPAC Name: calcium 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium sulfate Traditional Name: calcium 1-oxido-2-[(1-oxidopyridin-1-ium-2-yl)disulfanyl]pyridin-1-ium sulfate Formula: C10H8CaN2O6S3 MolecularWeight: 388.45332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SSC2=CC=CC=[N+]2[O-])[O-].[O-]S(=O)(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=[N+](C(=C1)SSC2=CC=CC=[N+]2[O-])[O-].[O-]S(=O)(=O)[O-].[Ca+2]

InChI

InChI=1S/C10H8N2O2S2.Ca.H2O4S/c13-11-7-3-1-5-9(11)15-16-10-6-2-4-8-12(10)14;;1-5(2,3)4/h1-8H;;(H2,1,2,3,4)/q;+2;/p-2