6-[3-(bromomethyl)phenyl]hexanoic acid

Systemtic Name: 6-[3-(bromomethyl)phenyl]hexanoic acid Openeye Name: 6-[3-(bromomethyl)phenyl]hexanoic acid CAS Name: 6-[3-(bromomethyl)phenyl]hexanoic acid IUPAC Name: 6-[3-(bromomethyl)phenyl]hexanoic acid Traditional Name: 6-[3-(bromomethyl)phenyl]hexanoic acid Formula: C13H17BrO2 MolecularWeight: 285.17688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CBr)CCCCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CBr)CCCCCC(=O)O

InChI

InChI=1S/C13H17BrO2/c14-10-12-7-4-6-11(9-12)5-2-1-3-8-13(15)16/h4,6-7,9H,1-3,5,8,10H2,(H,15,16)