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

Systemtic Name: [2-[(2-bromophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-tert-butylbenzoate Openeye Name: [2-[(2-bromophenyl)methylene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [2-[(2-bromophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(2-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [2-(2-bromobenzylidene)-3-keto-coumaran-6-yl] ester Formula: C26H21BrO4 MolecularWeight: 477.34654

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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=CC=C4Br)O3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=CC=C4Br)O3

InChI

InChI=1S/C26H21BrO4/c1-26(2,3)18-10-8-16(9-11-18)25(29)30-19-12-13-20-22(15-19)31-23(24(20)28)14-17-6-4-5-7-21(17)27/h4-15H,1-3H3