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

Systemtic Name: [2-(4-methoxy-3-oxidanyl-phenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-3-yl] hydrogen sulfate Openeye Name: [5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-4-oxo-chromen-3-yl] hydrogen sulfate CAS Name: sulfuric acid [5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochromen-3-yl] hydrogen sulfate Traditional Name: sulfuric acid [5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)-4-keto-chromen-3-yl] ester Formula: C16H12O10S MolecularWeight: 396.32548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12O10S/c1-24-11-3-2-7(4-9(11)18)15-16(26-27(21,22)23)14(20)13-10(19)5-8(17)6-12(13)25-15/h2-6,17-19H,1H3,(H,21,22,23)