2-[(4-tert-butylphenyl)methylidene]-6-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-1-benzofuran-3-one

Systemtic Name: 2-[(4-tert-butylphenyl)methylidene]-6-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-1-benzofuran-3-one Openeye Name: 2-[(4-tert-butylphenyl)methylene]-6-[(2-chloro-6-fluoro-phenyl)methoxy]benzofuran-3-one CAS Name: 2-[(4-tert-butylphenyl)methylidene]-6-[(2-chloro-6-fluorophenyl)methoxy]-3-benzofuranone IUPAC Name: 2-[(4-tert-butylphenyl)methylidene]-6-[(2-chloro-6-fluorophenyl)methoxy]-1-benzofuran-3-one Traditional Name: 2-(4-tert-butylbenzylidene)-6-(2-chloro-6-fluoro-benzyl)oxy-coumaran-3-one Formula: C26H22ClFO3 MolecularWeight: 436.902483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OCC4=C(C=CC=C4Cl)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C26H22ClFO3/c1-26(2,3)17-9-7-16(8-10-17)13-24-25(29)19-12-11-18(14-23(19)31-24)30-15-20-21(27)5-4-6-22(20)28/h4-14H,15H2,1-3H3