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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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