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

Systemtic Name: 4-[(E)-2-(4-benzo[e][1]benzofuran-2-yl-2-propyl-phenyl)ethenyl]-3-iodanyl-benzoic acid Openeye Name: 4-[(E)-2-(4-benzo[e]benzofuran-2-yl-2-propyl-phenyl)vinyl]-3-iodo-benzoic acid CAS Name: 4-[(E)-2-[4-(2-benzo[e]benzofuranyl)-2-propylphenyl]ethenyl]-3-iodobenzoic acid IUPAC Name: 4-[(E)-2-(4-benzo[e][1]benzofuran-2-yl-2-propylphenyl)ethenyl]-3-iodobenzoic acid Traditional Name: 4-[(E)-2-(4-benzo[e]benzofuran-2-yl-2-propyl-phenyl)vinyl]-3-iodo-benzoic acid Formula: C30H23IO3 MolecularWeight: 558.40629

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C2=CC3=C(O2)C=CC4=CC=CC=C43)C=CC5=C(C=C(C=C5)C(=O)O)I

Isomeric SMILES

CCCC1=C(C=CC(=C1)C2=CC3=C(O2)C=CC4=CC=CC=C43)/C=C/C5=C(C=C(C=C5)C(=O)O)I

InChI

InChI=1S/C30H23IO3/c1-2-5-22-16-23(29-18-26-25-7-4-3-6-20(25)14-15-28(26)34-29)12-9-19(22)8-10-21-11-13-24(30(32)33)17-27(21)31/h3-4,6-18H,2,5H2,1H3,(H,32,33)/b10-8+