4-[(E)-2-(4-benzo[e][1]benzofuran-2-ylphenyl)ethenyl]-3-bromanyl-benzoic acid

Systemtic Name: 4-[(E)-2-(4-benzo[e][1]benzofuran-2-ylphenyl)ethenyl]-3-bromanyl-benzoic acid Openeye Name: 4-[(E)-2-(4-benzo[e]benzofuran-2-ylphenyl)vinyl]-3-bromo-benzoic acid CAS Name: 4-[(E)-2-[4-(2-benzo[e]benzofuranyl)phenyl]ethenyl]-3-bromobenzoic acid IUPAC Name: 4-[(E)-2-(4-benzo[e][1]benzofuran-2-ylphenyl)ethenyl]-3-bromobenzoic acid Traditional Name: 4-[(E)-2-(4-benzo[e]benzofuran-2-ylphenyl)vinyl]-3-bromo-benzoic acid Formula: C27H17BrO3 MolecularWeight: 469.32608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=C(O3)C4=CC=C(C=C4)C=CC5=C(C=C(C=C5)C(=O)O)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C=C(O3)C4=CC=C(C=C4)/C=C/C5=C(C=C(C=C5)C(=O)O)Br

InChI

InChI=1S/C27H17BrO3/c28-24-15-21(27(29)30)12-11-19(24)8-5-17-6-9-20(10-7-17)26-16-23-22-4-2-1-3-18(22)13-14-25(23)31-26/h1-16H,(H,29,30)/b8-5+