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

Systemtic Name: methyl 3-iodanyl-4-propan-2-yl-benzoate Openeye Name: methyl 3-iodo-4-isopropyl-benzoate CAS Name: 3-iodo-4-propan-2-ylbenzoic acid methyl ester IUPAC Name: methyl 3-iodo-4-propan-2-ylbenzoate Traditional Name: 3-iodo-4-isopropyl-benzoic acid methyl ester Formula: C11H13IO2 MolecularWeight: 304.12419

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13IO2/c1-7(2)9-5-4-8(6-10(9)12)11(13)14-3/h4-7H,1-3H3