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

Systemtic Name: 4-[1-cyano-2-[3-iodanyl-4-[(3-methylphenyl)methoxy]phenyl]ethenyl]benzoic acid Openeye Name: 4-[1-cyano-2-[3-iodo-4-(m-tolylmethoxy)phenyl]vinyl]benzoic acid CAS Name: 4-[1-cyano-2-[3-iodo-4-[(3-methylphenyl)methoxy]phenyl]ethenyl]benzoic acid IUPAC Name: 4-[1-cyano-2-[3-iodo-4-[(3-methylphenyl)methoxy]phenyl]ethenyl]benzoic acid Traditional Name: 4-[1-cyano-2-[3-iodo-4-(3-methylbenzyl)oxy-phenyl]vinyl]benzoic acid Formula: C24H18INO3 MolecularWeight: 495.30909

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=C(C=C(C=C2)C=C(C#N)C3=CC=C(C=C3)C(=O)O)I

Isomeric SMILES

CC1=CC(=CC=C1)COC2=C(C=C(C=C2)C=C(C#N)C3=CC=C(C=C3)C(=O)O)I

InChI

InChI=1S/C24H18INO3/c1-16-3-2-4-18(11-16)15-29-23-10-5-17(13-22(23)25)12-21(14-26)19-6-8-20(9-7-19)24(27)28/h2-13H,15H2,1H3,(H,27,28)