[6-[(3,4-dimethoxyphenyl)-(2-oxidanyl-4-oxidanylidene-furan-3-yl)methyl]-1,3-benzodioxol-5-yl] ethanoate

Systemtic Name: [6-[(3,4-dimethoxyphenyl)-(2-oxidanyl-4-oxidanylidene-furan-3-yl)methyl]-1,3-benzodioxol-5-yl] ethanoate Openeye Name: [6-[(3,4-dimethoxyphenyl)-(2-hydroxy-4-oxo-3-furyl)methyl]-1,3-benzodioxol-5-yl] acetate CAS Name: acetic acid [6-[(3,4-dimethoxyphenyl)-(2-hydroxy-4-oxo-3-furanyl)methyl]-1,3-benzodioxol-5-yl] ester IUPAC Name: [6-[(3,4-dimethoxyphenyl)-(2-hydroxy-4-oxofuran-3-yl)methyl]-1,3-benzodioxol-5-yl] acetate Traditional Name: acetic acid [6-[(3,4-dimethoxyphenyl)-(2-hydroxy-4-keto-3-furyl)methyl]-1,3-benzodioxol-5-yl] ester Formula: C22H20O9 MolecularWeight: 428.3888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1C(C3=CC(=C(C=C3)OC)OC)C4=C(OCC4=O)O)OCO2

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1C(C3=CC(=C(C=C3)OC)OC)C4=C(OCC4=O)O)OCO2

InChI

InChI=1S/C22H20O9/c1-11(23)31-16-8-19-18(29-10-30-19)7-13(16)20(21-14(24)9-28-22(21)25)12-4-5-15(26-2)17(6-12)27-3/h4-8,20,25H,9-10H2,1-3H3