butyl 3-bromanyl-2-iodanyl-5-methyl-benzoate

Systemtic Name: butyl 3-bromanyl-2-iodanyl-5-methyl-benzoate Openeye Name: butyl 3-bromo-2-iodo-5-methyl-benzoate CAS Name: 3-bromo-2-iodo-5-methylbenzoic acid butyl ester IUPAC Name: butyl 3-bromo-2-iodo-5-methylbenzoate Traditional Name: 3-bromo-2-iodo-5-methyl-benzoic acid butyl ester Formula: C12H14BrIO2 MolecularWeight: 397.04683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC(=C1I)Br)C

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC(=C1I)Br)C

InChI

InChI=1S/C12H14BrIO2/c1-3-4-5-16-12(15)9-6-8(2)7-10(13)11(9)14/h6-7H,3-5H2,1-2H3