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

Systemtic Name: dipotassium [2-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanyl-4-oxidanylidene-3-sulfonatooxy-chromen-7-yl] sulfate Openeye Name: dipotassium [5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-4-oxo-3-sulfonatooxy-chromen-7-yl] sulfate CAS Name: dipotassium [5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3-sulfonatooxy-1-benzopyran-7-yl] sulfate IUPAC Name: dipotassium [5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3-sulfonatooxychromen-7-yl] sulfate Traditional Name: dipotassium [5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-4-keto-3-sulfato-chromen-7-yl] sulfate Formula: C16H10K2O13S2 MolecularWeight: 552.5694

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12O13S2.2K/c1-26-11-4-7(2-3-9(11)17)15-16(29-31(23,24)25)14(19)13-10(18)5-8(6-12(13)27-15)28-30(20,21)22;;/h2-6,17-18H,1H3,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2