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

Systemtic Name: potassium [7-methoxy-2-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanyl-4-oxidanylidene-chromen-3-yl] sulfate Openeye Name: potassium [5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-4-oxo-chromen-3-yl] sulfate CAS Name: potassium [5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxo-1-benzopyran-3-yl] sulfate IUPAC Name: potassium [5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxochromen-3-yl] sulfate Traditional Name: potassium [5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-4-keto-7-methoxy-chromen-3-yl] sulfate Formula: C17H13KO10S MolecularWeight: 448.44242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C1)OC(=C(C2=O)OS(=O)(=O)[O-])C3=CC(=C(C=C3)O)OC)O.[K+]

Isomeric SMILES

COC1=CC(=C2C(=C1)OC(=C(C2=O)OS(=O)(=O)[O-])C3=CC(=C(C=C3)O)OC)O.[K+]

InChI

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