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

Systemtic Name: [2-(3-methoxy-4-oxidanyl-phenyl)-3,5-bis(oxidanyl)-4-oxidanylidene-chromen-7-yl] hydrogen sulfate Openeye Name: [3,5-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-4-oxo-chromen-7-yl] hydrogen sulfate CAS Name: sulfuric acid [3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl] hydrogen sulfate Traditional Name: sulfuric acid [3,5-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=C(C(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)O)O)O)O

Isomeric SMILES

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

InChI

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