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

Systemtic Name: [2-[(2-bromophenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-bromanylbenzoate Openeye Name: [2-[(2-bromophenyl)methylene]-3-oxo-benzofuran-6-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [2-[(2-bromophenyl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [2-[(2-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(2-bromobenzylidene)-3-keto-coumaran-6-yl] ester Formula: C22H12Br2O4 MolecularWeight: 500.13628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)Br)Br

Isomeric SMILES

C1=CC=C(C(=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)Br)Br

InChI

InChI=1S/C22H12Br2O4/c23-15-7-5-13(6-8-15)22(26)27-16-9-10-17-19(12-16)28-20(21(17)25)11-14-3-1-2-4-18(14)24/h1-12H