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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl] 3,4,5-trimethoxybenzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylene)-3-oxo-benzofuran-6-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic 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] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid (3-keto-2-piperonylidene-coumaran-6-yl) ester Formula: C26H20O9 MolecularWeight: 476.4316

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC5=C(C=C4)OCO5)O3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC5=C(C=C4)OCO5)O3

InChI

InChI=1S/C26H20O9/c1-29-22-10-15(11-23(30-2)25(22)31-3)26(28)34-16-5-6-17-19(12-16)35-21(24(17)27)9-14-4-7-18-20(8-14)33-13-32-18/h4-12H,13H2,1-3H3