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

Systemtic Name: [2-methoxy-4-(6-methoxy-5-oxidanyl-4-oxidanylidene-7-sulfooxy-chromen-2-yl)phenyl] hydrogen sulfate Openeye Name: [5-hydroxy-6-methoxy-2-(3-methoxy-4-sulfooxy-phenyl)-4-oxo-chromen-7-yl] hydrogen sulfate CAS Name: sulfuric acid [5-hydroxy-6-methoxy-2-(3-methoxy-4-sulfooxyphenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [5-hydroxy-6-methoxy-2-(3-methoxy-4-sulfooxyphenyl)-4-oxochromen-7-yl] hydrogen sulfate Traditional Name: sulfuric acid [5-hydroxy-4-keto-6-methoxy-2-(3-methoxy-4-sulfoxy-phenyl)chromen-7-yl] ester Formula: C17H14O13S2 MolecularWeight: 490.41526

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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)OC)O)OS(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H14O13S2/c1-26-12-5-8(3-4-10(12)29-31(20,21)22)11-6-9(18)15-13(28-11)7-14(30-32(23,24)25)17(27-2)16(15)19/h3-7,19H,1-2H3,(H,20,21,22)(H,23,24,25)