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

Systemtic Name: [(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl] cyclohexanecarboxylate Openeye Name: [(2Z)-2-(1,3-benzodioxol-5-ylmethylene)-3-oxo-benzofuran-6-yl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic 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] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [(2Z)-3-keto-2-piperonylidene-coumaran-6-yl] ester Formula: C23H20O6 MolecularWeight: 392.4013

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC5=C(C=C4)OCO5)O3

Isomeric SMILES

C1CCC(CC1)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC5=C(C=C4)OCO5)/O3

InChI

InChI=1S/C23H20O6/c24-22-17-8-7-16(28-23(25)15-4-2-1-3-5-15)12-19(17)29-21(22)11-14-6-9-18-20(10-14)27-13-26-18/h6-12,15H,1-5,13H2/b21-11-