[2-[(4-ethylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[(4-ethylphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-[(4-ethylphenyl)methylene]-3-oxo-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-[(4-ethylphenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(4-ethylphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [2-(4-ethylbenzylidene)-3-keto-coumaran-6-yl] ester Formula: C25H18O6 MolecularWeight: 414.40682

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H18O6/c1-2-15-3-5-16(6-4-15)11-23-24(26)19-9-8-18(13-21(19)31-23)30-25(27)17-7-10-20-22(12-17)29-14-28-20/h3-13H,2,14H2,1H3