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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(COS(=O)(=O)O)(O)OS(=O)(=O)O

Isomeric SMILES

CC(COS(=O)(=O)O)(O)OS(=O)(=O)O

InChI

InChI=1S/C3H8O9S2/c1-3(4,12-14(8,9)10)2-11-13(5,6)7/h4H,2H2,1H3,(H,5,6,7)(H,8,9,10)