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

Systemtic Name: [3-(3,4-dimethoxyphenyl)-2-methyl-4-oxidanylidene-chromen-7-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-chromen-7-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [3-(3,4-dimethoxyphenyl)-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dimethoxyphenyl)-2-methyl-4-oxochromen-7-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [3-(3,4-dimethoxyphenyl)-4-keto-2-methyl-chromen-7-yl] ester Formula: C26H20O8 MolecularWeight: 460.4322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4)C5=CC(=C(C=C5)OC)OC

InChI

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