4-[1-cyano-2-(4-ethoxy-3-iodanyl-phenyl)ethenyl]benzoic acid

Systemtic Name: 4-[1-cyano-2-(4-ethoxy-3-iodanyl-phenyl)ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-(4-ethoxy-3-iodo-phenyl)vinyl]benzoic acid CAS Name: 4-[1-cyano-2-(4-ethoxy-3-iodophenyl)ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-(4-ethoxy-3-iodophenyl)ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-(4-ethoxy-3-iodo-phenyl)vinyl]benzoic acid Formula: C18H14INO3 MolecularWeight: 419.21313

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)I

Isomeric SMILES

CCOC1=C(C=C(C=C1)C=C(C#N)C2=CC=C(C=C2)C(=O)O)I

InChI

InChI=1S/C18H14INO3/c1-2-23-17-8-3-12(10-16(17)19)9-15(11-20)13-4-6-14(7-5-13)18(21)22/h3-10H,2H2,1H3,(H,21,22)