[3-(3,4-dimethoxyphenyl)-4-methyl-2-oxidanylidene-chromen-6-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [3-(3,4-dimethoxyphenyl)-4-methyl-2-oxidanylidene-chromen-6-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-chromen-6-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [3-(3,4-dimethoxyphenyl)-4-methyl-2-oxo-1-benzopyran-6-yl] ester IUPAC Name: [3-(3,4-dimethoxyphenyl)-4-methyl-2-oxochromen-6-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [3-(3,4-dimethoxyphenyl)-2-keto-4-methyl-chromen-6-yl] ester Formula: C26H20O8 MolecularWeight: 460.4322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C26H20O8/c1-14-18-12-17(33-25(27)16-5-8-21-23(11-16)32-13-31-21)6-9-19(18)34-26(28)24(14)15-4-7-20(29-2)22(10-15)30-3/h4-12H,13H2,1-3H3