(4-ethanoylphenyl)methyl hydrogen sulfate

Systemtic Name: (4-ethanoylphenyl)methyl hydrogen sulfate Openeye Name: (4-acetylphenyl)methyl hydrogen sulfate CAS Name: sulfuric acid (4-acetylphenyl)methyl ester IUPAC Name: (4-acetylphenyl)methyl hydrogen sulfate Traditional Name: sulfuric acid (4-acetylbenzyl) ester Formula: C9H10O5S MolecularWeight: 230.2377

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)COS(=O)(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)COS(=O)(=O)O

InChI

InChI=1S/C9H10O5S/c1-7(10)9-4-2-8(3-5-9)6-14-15(11,12)13/h2-5H,6H2,1H3,(H,11,12,13)