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

Systemtic Name: [(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl] 4-methylbenzoate Openeye Name: [(2Z)-2-(1,3-benzodioxol-5-ylmethylene)-3-oxo-benzofuran-6-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic 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] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2Z)-3-keto-2-piperonylidene-coumaran-6-yl] ester Formula: C24H16O6 MolecularWeight: 400.38024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC5=C(C=C4)OCO5)O3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC5=C(C=C4)OCO5)/O3

InChI

InChI=1S/C24H16O6/c1-14-2-5-16(6-3-14)24(26)29-17-7-8-18-20(12-17)30-22(23(18)25)11-15-4-9-19-21(10-15)28-13-27-19/h2-12H,13H2,1H3/b22-11-