sodium (2-ethanoyl-5-methoxy-phenyl) hydrogen sulfate

Systemtic Name: sodium (2-ethanoyl-5-methoxy-phenyl) hydrogen sulfate Openeye Name: sodium (2-acetyl-5-methoxy-phenyl) hydrogen sulfate CAS Name: sodium sulfuric acid (2-acetyl-5-methoxyphenyl) ester IUPAC Name: sodium (2-acetyl-5-methoxyphenyl) hydrogen sulfate Traditional Name: sodium sulfuric acid (2-acetyl-5-methoxy-phenyl) ester Formula: C9H10NaO6S+ MolecularWeight: 269.22687

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)OC)OS(=O)(=O)O.[Na+]

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)OC)OS(=O)(=O)O.[Na+]

InChI

InChI=1S/C9H10O6S.Na/c1-6(10)8-4-3-7(14-2)5-9(8)15-16(11,12)13;/h3-5H,1-2H3,(H,11,12,13);/q;+1