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

Systemtic Name: [4-[3,5-bis(oxidanyl)-4-oxidanylidene-7-sulfooxy-chromen-2-yl]phenyl] hydrogen sulfate Openeye Name: [4-(3,5-dihydroxy-4-oxo-7-sulfooxy-chromen-2-yl)phenyl] hydrogen sulfate CAS Name: sulfuric acid [4-(3,5-dihydroxy-4-oxo-7-sulfooxy-1-benzopyran-2-yl)phenyl] ester IUPAC Name: [4-(3,5-dihydroxy-4-oxo-7-sulfooxychromen-2-yl)phenyl] hydrogen sulfate Traditional Name: sulfuric acid [4-(3,5-dihydroxy-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(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)O)O)O)OS(=O)(=O)O

Isomeric SMILES

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

InChI

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