4-[(E)-2-(4-benzo[f][1]benzofuran-2-yl-2-iodanyl-phenyl)ethenyl]-3-bromanyl-benzoic acid

Systemtic Name: 4-[(E)-2-(4-benzo[f][1]benzofuran-2-yl-2-iodanyl-phenyl)ethenyl]-3-bromanyl-benzoic acid Openeye Name: 4-[(E)-2-(4-benzo[f]benzofuran-2-yl-2-iodo-phenyl)vinyl]-3-bromo-benzoic acid CAS Name: 4-[(E)-2-[4-(2-benzo[f]benzofuranyl)-2-iodophenyl]ethenyl]-3-bromobenzoic acid IUPAC Name: 4-[(E)-2-(4-benzo[f][1]benzofuran-2-yl-2-iodophenyl)ethenyl]-3-bromobenzoic acid Traditional Name: 4-[(E)-2-(4-benzo[f]benzofuran-2-yl-2-iodo-phenyl)vinyl]-3-bromo-benzoic acid Formula: C27H16BrIO3 MolecularWeight: 595.22261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C3C(=CC2=C1)C=C(O3)C4=CC(=C(C=C4)C=CC5=C(C=C(C=C5)C(=O)O)Br)I

Isomeric SMILES

C1=CC=C2C=C3C(=CC2=C1)C=C(O3)C4=CC(=C(C=C4)/C=C/C5=C(C=C(C=C5)C(=O)O)Br)I

InChI

InChI=1S/C27H16BrIO3/c28-23-12-21(27(30)31)10-6-16(23)5-7-17-8-9-20(13-24(17)29)25-15-22-11-18-3-1-2-4-19(18)14-26(22)32-25/h1-15H,(H,30,31)/b7-5+