[2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl] 3,4-dimethoxybenzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl] 3,4-dimethoxybenzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylene)-3-oxo-benzofuran-6-yl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylidene)-3-oxo-1-benzofuran-6-yl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid (3-keto-2-piperonylidene-coumaran-6-yl) ester Formula: C25H18O8 MolecularWeight: 446.40562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC5=C(C=C4)OCO5)O3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC5=C(C=C4)OCO5)O3)OC

InChI

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