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

Systemtic Name: [2-(4-hydroxyphenyl)-5-oxidanyl-4-oxidanylidene-3-sulfooxy-chromen-7-yl] hydrogen sulfate Openeye Name: [5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-sulfooxy-chromen-7-yl] hydrogen sulfate CAS Name: sulfuric acid [5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-sulfooxy-1-benzopyran-7-yl] ester IUPAC Name: [5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-sulfooxychromen-7-yl] hydrogen sulfate Traditional Name: sulfuric acid [5-hydroxy-2-(4-hydroxyphenyl)-4-keto-3-sulfoxy-chromen-7-yl] ester Formula: C15H10O12S2 MolecularWeight: 446.3627

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10O12S2/c16-8-3-1-7(2-4-8)14-15(27-29(22,23)24)13(18)12-10(17)5-9(6-11(12)25-14)26-28(19,20)21/h1-6,16-17H,(H,19,20,21)(H,22,23,24)