[3,4-dimethoxy-2,6-bis(oxidanyl)-5-(phenylcarbonyl)phenyl] hydrogen sulfate

Systemtic Name: [3,4-dimethoxy-2,6-bis(oxidanyl)-5-(phenylcarbonyl)phenyl] hydrogen sulfate Openeye Name: (3-benzoyl-2,6-dihydroxy-4,5-dimethoxy-phenyl) hydrogen sulfate CAS Name: sulfuric acid (3-benzoyl-2,6-dihydroxy-4,5-dimethoxyphenyl) ester IUPAC Name: (3-benzoyl-2,6-dihydroxy-4,5-dimethoxyphenyl) hydrogen sulfate Traditional Name: sulfuric acid (3-benzoyl-2,6-dihydroxy-4,5-dimethoxy-phenyl) ester Formula: C15H14O9S MolecularWeight: 370.33126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1C(=O)C2=CC=CC=C2)O)OS(=O)(=O)O)O)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1C(=O)C2=CC=CC=C2)O)OS(=O)(=O)O)O)OC

InChI

InChI=1S/C15H14O9S/c1-22-13-9(10(16)8-6-4-3-5-7-8)11(17)14(24-25(19,20)21)12(18)15(13)23-2/h3-7,17-18H,1-2H3,(H,19,20,21)