[3-(3,4-dimethoxyphenyl)-4-oxidanylidene-chromen-7-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [3-(3,4-dimethoxyphenyl)-4-oxidanylidene-chromen-7-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [3-(3,4-dimethoxyphenyl)-4-oxo-chromen-7-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [3-(3,4-dimethoxyphenyl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dimethoxyphenyl)-4-oxochromen-7-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [3-(3,4-dimethoxyphenyl)-4-keto-chromen-7-yl] ester Formula: C25H18O8 MolecularWeight: 446.40562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C25H18O8/c1-28-19-7-3-14(9-22(19)29-2)18-12-30-21-11-16(5-6-17(21)24(18)26)33-25(27)15-4-8-20-23(10-15)32-13-31-20/h3-12H,13H2,1-2H3