3-[[4-[2-(2-chlorophenyl)-2-cyano-ethenyl]-2-ethoxy-6-iodanyl-phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[4-[2-(2-chlorophenyl)-2-cyano-ethenyl]-2-ethoxy-6-iodanyl-phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[2-(2-chlorophenyl)-2-cyano-vinyl]-2-ethoxy-6-iodo-phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[2-(2-chlorophenyl)-2-cyanoethenyl]-2-ethoxy-6-iodophenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[2-(2-chlorophenyl)-2-cyanoethenyl]-2-ethoxy-6-iodophenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[2-(2-chlorophenyl)-2-cyano-vinyl]-2-ethoxy-6-iodo-phenoxy]methyl]benzoic acid Formula: C25H19ClINO4 MolecularWeight: 559.78013

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC=CC=C2Cl)I)OCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=CC=CC=C2Cl)I)OCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C25H19ClINO4/c1-2-31-23-13-17(11-19(14-28)20-8-3-4-9-21(20)26)12-22(27)24(23)32-15-16-6-5-7-18(10-16)25(29)30/h3-13H,2,15H2,1H3,(H,29,30)