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

Systemtic Name: [6-methoxy-5,7-bis(oxidanyl)-4-oxidanylidene-2-(4-oxidanyl-3-sulfooxy-phenyl)chromen-3-yl] hydrogen sulfate Openeye Name: [5,7-dihydroxy-2-(4-hydroxy-3-sulfooxy-phenyl)-6-methoxy-4-oxo-chromen-3-yl] hydrogen sulfate CAS Name: sulfuric acid [5,7-dihydroxy-2-(4-hydroxy-3-sulfooxyphenyl)-6-methoxy-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [5,7-dihydroxy-2-(4-hydroxy-3-sulfooxyphenyl)-6-methoxy-4-oxochromen-3-yl] hydrogen sulfate Traditional Name: sulfuric acid [5,7-dihydroxy-2-(4-hydroxy-3-sulfoxy-phenyl)-4-keto-6-methoxy-chromen-3-yl] ester Formula: C16H12O14S2 MolecularWeight: 492.38808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)OS(=O)(=O)O)OS(=O)(=O)O)O

Isomeric SMILES

COC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)OS(=O)(=O)O)OS(=O)(=O)O)O

InChI

InChI=1S/C16H12O14S2/c1-27-15-8(18)5-10-11(12(15)19)13(20)16(30-32(24,25)26)14(28-10)6-2-3-7(17)9(4-6)29-31(21,22)23/h2-5,17-19H,1H3,(H,21,22,23)(H,24,25,26)