ethyl 3-iodanyl-4-propan-2-yl-benzoate

Systemtic Name: ethyl 3-iodanyl-4-propan-2-yl-benzoate Openeye Name: ethyl 3-iodo-4-isopropyl-benzoate CAS Name: 3-iodo-4-propan-2-ylbenzoic acid ethyl ester IUPAC Name: ethyl 3-iodo-4-propan-2-ylbenzoate Traditional Name: 3-iodo-4-isopropyl-benzoic acid ethyl ester Formula: C12H15IO2 MolecularWeight: 318.15077

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15IO2/c1-4-15-12(14)9-5-6-10(8(2)3)11(13)7-9/h5-8H,4H2,1-3H3