1-(1-oxidanidylpyridin-1-ium-4-yl)pyridin-1-ium-3-olate trihydrate

Systemtic Name: 1-(1-oxidanidylpyridin-1-ium-4-yl)pyridin-1-ium-3-olate trihydrate Openeye Name: 1-(1-oxidopyridin-1-ium-4-yl)pyridin-1-ium-3-olate trihydrate CAS Name: 1-(1-oxido-4-pyridin-1-iumyl)-3-pyridin-1-iumolate trihydrate IUPAC Name: 1-(1-oxidopyridin-1-ium-4-yl)pyridin-1-ium-3-olate trihydrate Traditional Name: 1-(1-oxidopyridin-1-ium-4-yl)pyridin-1-ium-3-olate trihydrate Formula: C20H22N4O7 MolecularWeight: 430.41128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)C2=CC=[N+](C=C2)[O-])[O-].C1=CC(=C[N+](=C1)C2=CC=[N+](C=C2)[O-])[O-].O.O.O

Isomeric SMILES

C1=CC(=C[N+](=C1)C2=CC=[N+](C=C2)[O-])[O-].C1=CC(=C[N+](=C1)C2=CC=[N+](C=C2)[O-])[O-].O.O.O

InChI

InChI=1S/2C10H8N2O2.3H2O/c2*13-10-2-1-5-11(8-10)9-3-6-12(14)7-4-9;;;/h2*1-8H;3*1H2