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

Systemtic Name: [(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-yl] 4-tert-butylbenzoate Openeye Name: [(2Z)-2-(1,3-benzodioxol-5-ylmethylene)-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic 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-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [(2Z)-3-keto-2-piperonylidene-coumaran-6-yl] ester Formula: C27H22O6 MolecularWeight: 442.45998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=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/C27H22O6/c1-27(2,3)18-7-5-17(6-8-18)26(29)32-19-9-10-20-22(14-19)33-24(25(20)28)13-16-4-11-21-23(12-16)31-15-30-21/h4-14H,15H2,1-3H3/b24-13-