[2-methyl-4-oxidanyl-5-(phenylcarbonyl)phenyl] hydrogen sulfate

Systemtic Name: [2-methyl-4-oxidanyl-5-(phenylcarbonyl)phenyl] hydrogen sulfate Openeye Name: (5-benzoyl-4-hydroxy-2-methyl-phenyl) hydrogen sulfate CAS Name: sulfuric acid (5-benzoyl-4-hydroxy-2-methylphenyl) ester IUPAC Name: (5-benzoyl-4-hydroxy-2-methylphenyl) hydrogen sulfate Traditional Name: sulfuric acid (5-benzoyl-4-hydroxy-2-methyl-phenyl) ester Formula: C14H12O6S MolecularWeight: 308.30648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)OS(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C(=C1)O)C(=O)C2=CC=CC=C2)OS(=O)(=O)O

InChI

InChI=1S/C14H12O6S/c1-9-7-12(15)11(8-13(9)20-21(17,18)19)14(16)10-5-3-2-4-6-10/h2-8,15H,1H3,(H,17,18,19)