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

Systemtic Name: 3-[[4-[2-(2-chlorophenyl)-2-cyano-ethenyl]-2-iodanyl-6-methoxy-phenoxy]methyl]benzoic acid Openeye Name: 3-[[4-[2-(2-chlorophenyl)-2-cyano-vinyl]-2-iodo-6-methoxy-phenoxy]methyl]benzoic acid CAS Name: 3-[[4-[2-(2-chlorophenyl)-2-cyanoethenyl]-2-iodo-6-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 3-[[4-[2-(2-chlorophenyl)-2-cyanoethenyl]-2-iodo-6-methoxyphenoxy]methyl]benzoic acid Traditional Name: 3-[[4-[2-(2-chlorophenyl)-2-cyano-vinyl]-2-iodo-6-methoxy-phenoxy]methyl]benzoic acid Formula: C24H17ClINO4 MolecularWeight: 545.75355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C2=CC=CC=C2Cl)I)OCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C2=CC=CC=C2Cl)I)OCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C24H17ClINO4/c1-30-22-12-16(10-18(13-27)19-7-2-3-8-20(19)25)11-21(26)23(22)31-14-15-5-4-6-17(9-15)24(28)29/h2-12H,14H2,1H3,(H,28,29)