2-[[2-[1,3-benzodioxol-5-yl(oxidanyl)methyl]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]methyl]pyran-4-one

Systemtic Name: 2-[[2-[1,3-benzodioxol-5-yl(oxidanyl)methyl]-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]methyl]pyran-4-one Openeye Name: 2-[[2-[1,3-benzodioxol-5-yl(hydroxy)methyl]-3-oxo-cyclohexa-1,5-dien-1-yl]methyl]pyran-4-one CAS Name: 2-[[2-[1,3-benzodioxol-5-yl(hydroxy)methyl]-3-oxo-1-cyclohexa-1,5-dienyl]methyl]-4-pyranone IUPAC Name: 2-[[2-[1,3-benzodioxol-5-yl(hydroxy)methyl]-3-oxocyclohexa-1,5-dien-1-yl]methyl]pyran-4-one Traditional Name: 2-[[2-[1,3-benzodioxol-5-yl(hydroxy)methyl]-3-keto-cyclohexa-1,5-dien-1-yl]methyl]pyran-4-one Formula: C20H16O6 MolecularWeight: 352.33744

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=C(C1=O)C(C2=CC3=C(C=C2)OCO3)O)CC4=CC(=O)C=CO4

Isomeric SMILES

C1C=CC(=C(C1=O)C(C2=CC3=C(C=C2)OCO3)O)CC4=CC(=O)C=CO4

InChI

InChI=1S/C20H16O6/c21-14-6-7-24-15(10-14)8-12-2-1-3-16(22)19(12)20(23)13-4-5-17-18(9-13)26-11-25-17/h1-2,4-7,9-10,20,23H,3,8,11H2