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

Systemtic Name: [2-(3-methoxy-4-oxidanyl-phenyl)-5-oxidanyl-4-oxidanylidene-6-sulfooxy-chromen-7-yl] hydrogen sulfate Openeye Name: [5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-4-oxo-6-sulfooxy-chromen-7-yl] hydrogen sulfate CAS Name: sulfuric acid [5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-6-sulfooxy-1-benzopyran-7-yl] ester IUPAC Name: [5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-6-sulfooxychromen-7-yl] hydrogen sulfate Traditional Name: sulfuric acid [5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-4-keto-6-sulfoxy-chromen-7-yl] ester Formula: C16H12O13S2 MolecularWeight: 476.38868

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12O13S2/c1-26-11-4-7(2-3-8(11)17)10-5-9(18)14-12(27-10)6-13(28-30(20,21)22)16(15(14)19)29-31(23,24)25/h2-6,17,19H,1H3,(H,20,21,22)(H,23,24,25)