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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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