[(2Z)-2-[(3,4-dichlorophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-tert-butylbenzoate

Systemtic Name: [(2Z)-2-[(3,4-dichlorophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-tert-butylbenzoate Openeye Name: [(2Z)-2-[(3,4-dichlorophenyl)methylene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [(2Z)-2-[(3,4-dichlorophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(3,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [(2Z)-2-(3,4-dichlorobenzylidene)-3-keto-coumaran-6-yl] ester Formula: C26H20Cl2O4 MolecularWeight: 467.3406

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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=CC(=C(C=C4)Cl)Cl)O3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=C(C=C4)Cl)Cl)/O3

InChI

InChI=1S/C26H20Cl2O4/c1-26(2,3)17-7-5-16(6-8-17)25(30)31-18-9-10-19-22(14-18)32-23(24(19)29)13-15-4-11-20(27)21(28)12-15/h4-14H,1-3H3/b23-13-