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

Systemtic Name: [2-(3,4-dimethoxyphenyl)-3,5-bis(oxidanyl)-4-oxidanylidene-chromen-7-yl] hydrogen sulfate Openeye Name: [2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-4-oxo-chromen-7-yl] hydrogen sulfate CAS Name: sulfuric acid [2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-4-oxochromen-7-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-(3,4-dimethoxyphenyl)-3,5-dihydroxy-4-keto-chromen-7-yl] ester Formula: C17H14O10S MolecularWeight: 410.35206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14O10S/c1-24-11-4-3-8(5-12(11)25-2)17-16(20)15(19)14-10(18)6-9(7-13(14)26-17)27-28(21,22)23/h3-7,18,20H,1-2H3,(H,21,22,23)