(2,4,5-trimethylphenyl) 3-iodanylpropanoate

Systemtic Name: (2,4,5-trimethylphenyl) 3-iodanylpropanoate Openeye Name: (2,4,5-trimethylphenyl) 3-iodopropanoate CAS Name: 3-iodopropanoic acid (2,4,5-trimethylphenyl) ester IUPAC Name: (2,4,5-trimethylphenyl) 3-iodopropanoate Traditional Name: 3-iodopropionic acid (2,4,5-trimethylphenyl) ester Formula: C12H15IO2 MolecularWeight: 318.15077

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)OC(=O)CCI)C

Isomeric SMILES

CC1=CC(=C(C=C1C)OC(=O)CCI)C

InChI

InChI=1S/C12H15IO2/c1-8-6-10(3)11(7-9(8)2)15-12(14)4-5-13/h6-7H,4-5H2,1-3H3