5-fluoranyl-2-[(E)-2-[4-(7-hexyl-1-benzofuran-2-yl)-2-iodanyl-phenyl]ethenyl]benzoic acid

Systemtic Name: 5-fluoranyl-2-[(E)-2-[4-(7-hexyl-1-benzofuran-2-yl)-2-iodanyl-phenyl]ethenyl]benzoic acid Openeye Name: 5-fluoro-2-[(E)-2-[4-(7-hexylbenzofuran-2-yl)-2-iodo-phenyl]vinyl]benzoic acid CAS Name: 5-fluoro-2-[(E)-2-[4-(7-hexyl-2-benzofuranyl)-2-iodophenyl]ethenyl]benzoic acid IUPAC Name: 5-fluoro-2-[(E)-2-[4-(7-hexyl-1-benzofuran-2-yl)-2-iodophenyl]ethenyl]benzoic acid Traditional Name: 5-fluoro-2-[(E)-2-[4-(7-hexylbenzofuran-2-yl)-2-iodo-phenyl]vinyl]benzoic acid Formula: C29H26FIO3 MolecularWeight: 568.417813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC2=C1OC(=C2)C3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)F)C(=O)O)I

Isomeric SMILES

CCCCCCC1=CC=CC2=C1OC(=C2)C3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)F)C(=O)O)I

InChI

InChI=1S/C29H26FIO3/c1-2-3-4-5-7-21-8-6-9-23-17-27(34-28(21)23)22-13-12-20(26(31)16-22)11-10-19-14-15-24(30)18-25(19)29(32)33/h6,8-18H,2-5,7H2,1H3,(H,32,33)/b11-10+