(1-oxidanyl-3-sulfooxy-propan-2-yl) hydrogen sulfate

Systemtic Name: (1-oxidanyl-3-sulfooxy-propan-2-yl) hydrogen sulfate Openeye Name: [1-(hydroxymethyl)-2-sulfooxy-ethyl] hydrogen sulfate CAS Name: sulfuric acid (1-hydroxy-3-sulfooxypropan-2-yl) ester IUPAC Name: (1-hydroxy-3-sulfooxypropan-2-yl) hydrogen sulfate Traditional Name: sulfuric acid (3-hydroxy-2-sulfoxy-propyl) ester Formula: C3H8O9S2 MolecularWeight: 252.22022

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Descriptors Computed from Structure

Canonical SMILES:

C(C(COS(=O)(=O)O)OS(=O)(=O)O)O

Isomeric SMILES

C(C(COS(=O)(=O)O)OS(=O)(=O)O)O

InChI

InChI=1S/C3H8O9S2/c4-1-3(12-14(8,9)10)2-11-13(5,6)7/h3-4H,1-2H2,(H,5,6,7)(H,8,9,10)