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

Systemtic Name: [2-[3,4-bis(oxidanyl)phenyl]-5-oxidanyl-4-oxidanylidene-3-sulfooxy-chromen-7-yl] hydrogen sulfate Openeye Name: [2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-sulfooxy-chromen-7-yl] hydrogen sulfate CAS Name: sulfuric acid [2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-sulfooxy-1-benzopyran-7-yl] ester IUPAC Name: [2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-sulfooxychromen-7-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-(3,4-dihydroxyphenyl)-5-hydroxy-4-keto-3-sulfoxy-chromen-7-yl] ester Formula: C15H10O13S2 MolecularWeight: 462.3621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)O)O)OS(=O)(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)O)O)OS(=O)(=O)O)O)O

InChI

InChI=1S/C15H10O13S2/c16-8-2-1-6(3-9(8)17)14-15(28-30(23,24)25)13(19)12-10(18)4-7(5-11(12)26-14)27-29(20,21)22/h1-5,16-18H,(H,20,21,22)(H,23,24,25)