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

Systemtic Name: [5,7-bis(oxidanyl)-4-oxidanylidene-2-(4-oxidanyl-3-sulfooxy-phenyl)chromen-3-yl] hydrogen sulfate Openeye Name: [5,7-dihydroxy-2-(4-hydroxy-3-sulfooxy-phenyl)-4-oxo-chromen-3-yl] hydrogen sulfate CAS Name: sulfuric acid [5,7-dihydroxy-2-(4-hydroxy-3-sulfooxyphenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [5,7-dihydroxy-2-(4-hydroxy-3-sulfooxyphenyl)-4-oxochromen-3-yl] hydrogen sulfate Traditional Name: sulfuric acid [5,7-dihydroxy-2-(4-hydroxy-3-sulfoxy-phenyl)-4-keto-chromen-3-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)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O

Isomeric SMILES

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

InChI

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