[7,8-dimethoxy-5-oxidanyl-4-oxidanylidene-2-(4-oxidanyl-3-sulfooxy-phenyl)chromen-3-yl] hydrogen sulfate

Systemtic Name: [7,8-dimethoxy-5-oxidanyl-4-oxidanylidene-2-(4-oxidanyl-3-sulfooxy-phenyl)chromen-3-yl] hydrogen sulfate Openeye Name: [2-hydroxy-5-(5-hydroxy-7,8-dimethoxy-4-oxo-3-sulfooxy-chromen-2-yl)phenyl] hydrogen sulfate CAS Name: sulfuric acid [2-hydroxy-5-(5-hydroxy-7,8-dimethoxy-4-oxo-3-sulfooxy-1-benzopyran-2-yl)phenyl] ester IUPAC Name: [2-hydroxy-5-(5-hydroxy-7,8-dimethoxy-4-oxo-3-sulfooxychromen-2-yl)phenyl] hydrogen sulfate Traditional Name: sulfuric acid [2-hydroxy-5-(5-hydroxy-4-keto-7,8-dimethoxy-3-sulfoxy-chromen-2-yl)phenyl] ester Formula: C17H14O14S2 MolecularWeight: 506.41466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)OS(=O)(=O)O)OS(=O)(=O)O)OC

Isomeric SMILES

COC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)OS(=O)(=O)O)OS(=O)(=O)O)OC

InChI

InChI=1S/C17H14O14S2/c1-27-11-6-9(19)12-13(20)17(31-33(24,25)26)14(29-16(12)15(11)28-2)7-3-4-8(18)10(5-7)30-32(21,22)23/h3-6,18-19H,1-2H3,(H,21,22,23)(H,24,25,26)