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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18O8/c1-28-17-9-15(10-18(11-17)29-2)25(27)32-16-4-5-19-21(12-16)33-23(24(19)26)8-14-3-6-20-22(7-14)31-13-30-20/h3-12H,13H2,1-2H3/b23-8-