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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O)OS(=O)(=O)O

Isomeric SMILES

COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O)OS(=O)(=O)O

InChI

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