4-[1-cyano-2-(3,4-diethoxy-5-iodanyl-phenyl)ethenyl]benzoic acid

Systemtic Name: 4-[1-cyano-2-(3,4-diethoxy-5-iodanyl-phenyl)ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-(3,4-diethoxy-5-iodo-phenyl)vinyl]benzoic acid CAS Name: 4-[1-cyano-2-(3,4-diethoxy-5-iodophenyl)ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-(3,4-diethoxy-5-iodophenyl)ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-(3,4-diethoxy-5-iodo-phenyl)vinyl]benzoic acid Formula: C20H18INO4 MolecularWeight: 463.26569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18INO4/c1-3-25-18-11-13(10-17(21)19(18)26-4-2)9-16(12-22)14-5-7-15(8-6-14)20(23)24/h5-11H,3-4H2,1-2H3,(H,23,24)