[2-(3-methoxy-4-oxidanyl-phenyl)-5,6-bis(oxidanyl)-4-oxidanylidene-chromen-7-yl] hydrogen sulfate

Systemtic Name: [2-(3-methoxy-4-oxidanyl-phenyl)-5,6-bis(oxidanyl)-4-oxidanylidene-chromen-7-yl] hydrogen sulfate Openeye Name: [5,6-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-4-oxo-chromen-7-yl] hydrogen sulfate CAS Name: sulfuric acid [5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl] hydrogen sulfate Traditional Name: sulfuric acid [5,6-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-4-keto-chromen-7-yl] ester Formula: C16H12O10S MolecularWeight: 396.32548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OS(=O)(=O)O)O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OS(=O)(=O)O)O)O)O

InChI

InChI=1S/C16H12O10S/c1-24-11-4-7(2-3-8(11)17)10-5-9(18)14-12(25-10)6-13(15(19)16(14)20)26-27(21,22)23/h2-6,17,19-20H,1H3,(H,21,22,23)