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

Systemtic Name: potassium [2-(3-methoxy-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl] sulfite Openeye Name: potassium [5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-4-oxo-chromen-3-yl] sulfite CAS Name: potassium [5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1-benzopyran-3-yl] sulfite IUPAC Name: potassium [5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl] sulfite Traditional Name: potassium [5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-4-keto-chromen-3-yl] sulfite Formula: C16H11KO9S MolecularWeight: 418.41644

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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)O)O)OS(=O)[O-])O.[K+]

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OS(=O)[O-])O.[K+]

InChI

InChI=1S/C16H12O9S.K/c1-23-11-4-7(2-3-9(11)18)15-16(25-26(21)22)14(20)13-10(19)5-8(17)6-12(13)24-15;/h2-6,17-19H,1H3,(H,21,22);/q;+1/p-1