[(E)-but-2-enyl] 4-iodanyl-3-(3-methylphenyl)benzoate

Systemtic Name: [(E)-but-2-enyl] 4-iodanyl-3-(3-methylphenyl)benzoate Openeye Name: [(E)-but-2-enyl] 4-iodo-3-(m-tolyl)benzoate CAS Name: 4-iodo-3-(3-methylphenyl)benzoic acid [(E)-but-2-enyl] ester IUPAC Name: [(E)-but-2-enyl] 4-iodo-3-(3-methylphenyl)benzoate Traditional Name: 4-iodo-3-(m-tolyl)benzoic acid [(E)-but-2-enyl] ester Formula: C18H17IO2 MolecularWeight: 392.23085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CCOC(=O)C1=CC(=C(C=C1)I)C2=CC(=CC=C2)C

Isomeric SMILES

C/C=C/COC(=O)C1=CC(=C(C=C1)I)C2=CC(=CC=C2)C

InChI

InChI=1S/C18H17IO2/c1-3-4-10-21-18(20)15-8-9-17(19)16(12-15)14-7-5-6-13(2)11-14/h3-9,11-12H,10H2,1-2H3/b4-3+