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

Systemtic Name: [2-[3,4-bis(oxidanyl)phenyl]-3,6-dimethoxy-5-oxidanyl-4-oxidanylidene-chromen-7-yl] hydrogen sulfate Openeye Name: [2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6-dimethoxy-4-oxo-chromen-7-yl] hydrogen sulfate CAS Name: sulfuric acid [2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6-dimethoxy-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6-dimethoxy-4-oxochromen-7-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-(3,4-dihydroxyphenyl)-5-hydroxy-4-keto-3,6-dimethoxy-chromen-7-yl] ester Formula: C17H14O11S MolecularWeight: 426.35146

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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)OC)OS(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H14O11S/c1-25-16-11(28-29(22,23)24)6-10-12(13(16)20)14(21)17(26-2)15(27-10)7-3-4-8(18)9(19)5-7/h3-6,18-20H,1-2H3,(H,22,23,24)