(3E)-3-[(4-bromophenyl)methylidene]-2-benzofuran-1-one

Systemtic Name: (3E)-3-[(4-bromophenyl)methylidene]-2-benzofuran-1-one Openeye Name: (3E)-3-[(4-bromophenyl)methylene]isobenzofuran-1-one CAS Name: (3E)-3-[(4-bromophenyl)methylidene]-1-isobenzofuranone IUPAC Name: (3E)-3-[(4-bromophenyl)methylidene]-2-benzofuran-1-one Traditional Name: (3E)-3-(4-bromobenzylidene)phthalide Formula: C30H18Br2O4 MolecularWeight: 602.26952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=CC=C(C=C3)Br)OC2=O.C1=CC=C2C(=C1)C(=CC3=CC=C(C=C3)Br)OC2=O

Isomeric SMILES

C1=CC=C2C(=O)O/C(=C/C3=CC=C(C=C3)Br)/C2=C1.C1=CC=C2C(=O)O/C(=C/C3=CC=C(C=C3)Br)/C2=C1

InChI

InChI=1S/2C15H9BrO2/c2*16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(17)18-14/h2*1-9H/b2*14-9+