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

Systemtic Name: 2-[(E)-2-[4-(5-fluoranyl-7-iodanyl-1-benzofuran-2-yl)-2-iodanyl-phenyl]ethenyl]-3-propoxy-benzoic acid Openeye Name: 2-[(E)-2-[4-(5-fluoro-7-iodo-benzofuran-2-yl)-2-iodo-phenyl]vinyl]-3-propoxy-benzoic acid CAS Name: 2-[(E)-2-[4-(5-fluoro-7-iodo-2-benzofuranyl)-2-iodophenyl]ethenyl]-3-propoxybenzoic acid IUPAC Name: 2-[(E)-2-[4-(5-fluoro-7-iodo-1-benzofuran-2-yl)-2-iodophenyl]ethenyl]-3-propoxybenzoic acid Traditional Name: 2-[(E)-2-[4-(5-fluoro-7-iodo-benzofuran-2-yl)-2-iodo-phenyl]vinyl]-3-propoxy-benzoic acid Formula: C26H19FI2O4 MolecularWeight: 668.234003

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C26H19FI2O4/c1-2-10-32-23-5-3-4-20(26(30)31)19(23)9-8-15-6-7-16(12-21(15)28)24-13-17-11-18(27)14-22(29)25(17)33-24/h3-9,11-14H,2,10H2,1H3,(H,30,31)/b9-8+