[6-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)-4-oxidanylidene-2-phenyl-chromen-8-yl] hydrogen sulfate

Systemtic Name: [6-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)-4-oxidanylidene-2-phenyl-chromen-8-yl] hydrogen sulfate Openeye Name: [5,7-dihydroxy-6-(3-methylbut-2-enyl)-4-oxo-2-phenyl-chromen-8-yl] hydrogen sulfate CAS Name: sulfuric acid [5,7-dihydroxy-6-(3-methylbut-2-enyl)-4-oxo-2-phenyl-1-benzopyran-8-yl] ester IUPAC Name: [5,7-dihydroxy-6-(3-methylbut-2-enyl)-4-oxo-2-phenylchromen-8-yl] hydrogen sulfate Traditional Name: sulfuric acid [5,7-dihydroxy-4-keto-6-(3-methylbut-2-enyl)-2-phenyl-chromen-8-yl] ester Formula: C20H18O8S MolecularWeight: 418.41712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=C(C2=C(C(=C1O)OS(=O)(=O)O)OC(=CC2=O)C3=CC=CC=C3)O)C

Isomeric SMILES

CC(=CCC1=C(C2=C(C(=C1O)OS(=O)(=O)O)OC(=CC2=O)C3=CC=CC=C3)O)C

InChI

InChI=1S/C20H18O8S/c1-11(2)8-9-13-17(22)16-14(21)10-15(12-6-4-3-5-7-12)27-19(16)20(18(13)23)28-29(24,25)26/h3-8,10,22-23H,9H2,1-2H3,(H,24,25,26)