[2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxidanylidene-1-benzofuran-6-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxidanylidene-1-benzofuran-6-yl] 3,4,5-trimethoxybenzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylene)-7-methyl-3-oxo-benzofuran-6-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylidene)-7-methyl-3-oxo-1-benzofuran-6-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid (3-keto-7-methyl-2-piperonylidene-coumaran-6-yl) ester Formula: C27H22O9 MolecularWeight: 490.45818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=CC3=CC4=C(C=C3)OCO4)C2=O)OC(=O)C5=CC(=C(C(=C5)OC)OC)OC

Isomeric SMILES

CC1=C(C=CC2=C1OC(=CC3=CC4=C(C=C3)OCO4)C2=O)OC(=O)C5=CC(=C(C(=C5)OC)OC)OC

InChI

InChI=1S/C27H22O9/c1-14-18(36-27(29)16-11-22(30-2)26(32-4)23(12-16)31-3)8-6-17-24(28)21(35-25(14)17)10-15-5-7-19-20(9-15)34-13-33-19/h5-12H,13H2,1-4H3