hydrogen sulfate; (6-methoxy-1-methyl-4-nitro-pyridin-1-ium-3-yl) hydrogen sulfate

Systemtic Name: hydrogen sulfate; (6-methoxy-1-methyl-4-nitro-pyridin-1-ium-3-yl) hydrogen sulfate Openeye Name: hydrogen sulfate; (6-methoxy-1-methyl-4-nitro-pyridin-1-ium-3-yl) hydrogen sulfate CAS Name: hydrogen sulfate; sulfuric acid (6-methoxy-1-methyl-4-nitro-3-pyridin-1-iumyl) ester IUPAC Name: hydrogen sulfate; (6-methoxy-1-methyl-4-nitropyridin-1-ium-3-yl) hydrogen sulfate Traditional Name: sulfuric acid (6-methoxy-1-methyl-4-nitro-pyridin-1-ium-3-yl) ester bisulfate Formula: C7H10N2O11S2 MolecularWeight: 362.2911

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=C(C(=C1)OS(=O)(=O)O)[N+](=O)[O-])OC.OS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(C=C(C(=C1)OS(=O)(=O)O)[N+](=O)[O-])OC.OS(=O)(=O)[O-]

InChI

InChI=1S/C7H8N2O7S.H2O4S/c1-8-4-6(16-17(12,13)14)5(9(10)11)3-7(8)15-2;1-5(2,3)4/h3-4H,1-2H3;(H2,1,2,3,4)