pyridin-3-yl hydrogen carbonate; sulfooxy hydrogen sulfate

Systemtic Name: pyridin-3-yl hydrogen carbonate; sulfooxy hydrogen sulfate Openeye Name: 3-pyridyl hydrogen carbonate; sulfooxy hydrogen sulfate CAS Name: carbonic acid 3-pyridinyl ester; sulfuric acid sulfooxy ester IUPAC Name: pyridin-3-yl hydrogen carbonate; sulfooxy hydrogen sulfate Traditional Name: carbonic acid 3-pyridyl ester; sulfuric acid sulfoxy ester Formula: C6H7NO11S2 MolecularWeight: 333.24988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)OC(=O)O.OS(=O)(=O)OOS(=O)(=O)O

Isomeric SMILES

C1=CC(=CN=C1)OC(=O)O.OS(=O)(=O)OOS(=O)(=O)O

InChI

InChI=1S/C6H5NO3.H2O8S2/c8-6(9)10-5-2-1-3-7-4-5;1-9(2,3)7-8-10(4,5)6/h1-4H,(H,8,9);(H,1,2,3)(H,4,5,6)