ethyl 2-[(E)-2-[4-(5-fluoranyl-7-iodanyl-1-benzofuran-2-yl)-2-iodanyl-phenyl]ethenyl]-3-propoxy-benzoate

Systemtic Name: ethyl 2-[(E)-2-[4-(5-fluoranyl-7-iodanyl-1-benzofuran-2-yl)-2-iodanyl-phenyl]ethenyl]-3-propoxy-benzoate Openeye Name: ethyl 2-[(E)-2-[4-(5-fluoro-7-iodo-benzofuran-2-yl)-2-iodo-phenyl]vinyl]-3-propoxy-benzoate CAS Name: 2-[(E)-2-[4-(5-fluoro-7-iodo-2-benzofuranyl)-2-iodophenyl]ethenyl]-3-propoxybenzoic acid ethyl ester IUPAC Name: ethyl 2-[(E)-2-[4-(5-fluoro-7-iodo-1-benzofuran-2-yl)-2-iodophenyl]ethenyl]-3-propoxybenzoate Traditional Name: 2-[(E)-2-[4-(5-fluoro-7-iodo-benzofuran-2-yl)-2-iodo-phenyl]vinyl]-3-propoxy-benzoic acid ethyl ester Formula: C28H23FI2O4 MolecularWeight: 696.287163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1C=CC2=C(C=C(C=C2)C3=CC4=CC(=CC(=C4O3)I)F)I)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=CC(=C1/C=C/C2=C(C=C(C=C2)C3=CC4=CC(=CC(=C4O3)I)F)I)C(=O)OCC

InChI

InChI=1S/C28H23FI2O4/c1-3-12-34-25-7-5-6-22(28(32)33-4-2)21(25)11-10-17-8-9-18(14-23(17)30)26-15-19-13-20(29)16-24(31)27(19)35-26/h5-11,13-16H,3-4,12H2,1-2H3/b11-10+