[2-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-tert-butylbenzoate

Systemtic Name: [2-[(2-chloranyl-6-fluoranyl-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-tert-butylbenzoate Openeye Name: [2-[(2-chloro-6-fluoro-phenyl)methylene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(2-chloro-6-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-(2-chloro-6-fluoro-benzylidene)-3-keto-coumaran-6-yl] ester Formula: C26H20ClFO4 MolecularWeight: 450.886003

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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=C(C=CC=C4Cl)F)O3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=C(C=CC=C4Cl)F)O3

InChI

InChI=1S/C26H20ClFO4/c1-26(2,3)16-9-7-15(8-10-16)25(30)31-17-11-12-18-22(13-17)32-23(24(18)29)14-19-20(27)5-4-6-21(19)28/h4-14H,1-3H3