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

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

Isomeric SMILES

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

InChI

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