[5-ethanoyl-2,4-bis(oxidanyl)phenyl] hydrogen sulfate

Systemtic Name: [5-ethanoyl-2,4-bis(oxidanyl)phenyl] hydrogen sulfate Openeye Name: (5-acetyl-2,4-dihydroxy-phenyl) hydrogen sulfate CAS Name: sulfuric acid (5-acetyl-2,4-dihydroxyphenyl) ester IUPAC Name: (5-acetyl-2,4-dihydroxyphenyl) hydrogen sulfate Traditional Name: sulfuric acid (5-acetyl-2,4-dihydroxy-phenyl) ester Formula: C8H8O7S MolecularWeight: 248.20992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1O)O)OS(=O)(=O)O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1O)O)OS(=O)(=O)O

InChI

InChI=1S/C8H8O7S/c1-4(9)5-2-8(15-16(12,13)14)7(11)3-6(5)10/h2-3,10-11H,1H3,(H,12,13,14)