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

Systemtic Name: [2-(3-methoxy-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl] hydrogen sulfate Openeye Name: [5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chroman-3-yl] hydrogen sulfate CAS Name: sulfuric acid [5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl] ester IUPAC Name: [5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] hydrogen sulfate Traditional Name: sulfuric acid [5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chroman-3-yl] ester Formula: C16H16O9S MolecularWeight: 384.35784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(CC3=C(C=C(C=C3O2)O)O)OS(=O)(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(CC3=C(C=C(C=C3O2)O)O)OS(=O)(=O)O)O

InChI

InChI=1S/C16H16O9S/c1-23-14-4-8(2-3-11(14)18)16-15(25-26(20,21)22)7-10-12(19)5-9(17)6-13(10)24-16/h2-6,15-19H,7H2,1H3,(H,20,21,22)