[3-(2,4-dimethoxyphenyl)-2-oxidanylidene-chromen-7-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [3-(2,4-dimethoxyphenyl)-2-oxidanylidene-chromen-7-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [3-(2,4-dimethoxyphenyl)-2-oxo-chromen-7-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [3-(2,4-dimethoxyphenyl)-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,4-dimethoxyphenyl)-2-oxochromen-7-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [3-(2,4-dimethoxyphenyl)-2-keto-chromen-7-yl] ester Formula: C25H18O8 MolecularWeight: 446.40562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC3=C(C=C(C=C3)OC(=O)C4=CC5=C(C=C4)OCO5)OC2=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC3=C(C=C(C=C3)OC(=O)C4=CC5=C(C=C4)OCO5)OC2=O)OC

InChI

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