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

Systemtic Name: [2-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl] hydrogen sulfate Openeye Name: [5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-4-oxo-chromen-7-yl] hydrogen sulfate CAS Name: sulfuric acid [5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl] hydrogen sulfate Traditional Name: sulfuric acid [5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-4-keto-chromen-7-yl] ester Formula: C16H12O9S MolecularWeight: 380.32608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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