2-[(E)-2-(4-benzo[g][1]benzofuran-2-yl-2-propyl-phenyl)ethenyl]-5-iodanyl-benzoic acid

Systemtic Name: 2-[(E)-2-(4-benzo[g][1]benzofuran-2-yl-2-propyl-phenyl)ethenyl]-5-iodanyl-benzoic acid Openeye Name: 2-[(E)-2-(4-benzo[g]benzofuran-2-yl-2-propyl-phenyl)vinyl]-5-iodo-benzoic acid CAS Name: 2-[(E)-2-[4-(2-benzo[g]benzofuranyl)-2-propylphenyl]ethenyl]-5-iodobenzoic acid IUPAC Name: 2-[(E)-2-(4-benzo[g][1]benzofuran-2-yl-2-propylphenyl)ethenyl]-5-iodobenzoic acid Traditional Name: 2-[(E)-2-(4-benzo[g]benzofuran-2-yl-2-propyl-phenyl)vinyl]-5-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)C4=CC=CC=C4C=C3)C=CC5=C(C=C(C=C5)I)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)C2=CC3=C(O2)C4=CC=CC=C4C=C3)/C=C/C5=C(C=C(C=C5)I)C(=O)O

InChI

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