2-[4-(bromomethyl)phenyl]sulfanyl-2-methyl-propanoic acid

Systemtic Name: 2-[4-(bromomethyl)phenyl]sulfanyl-2-methyl-propanoic acid Openeye Name: 2-[4-(bromomethyl)phenyl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[4-(bromomethyl)phenyl]thio]-2-methylpropanoic acid IUPAC Name: 2-[4-(bromomethyl)phenyl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[[4-(bromomethyl)phenyl]thio]-2-methyl-propionic acid Formula: C11H13BrO2S MolecularWeight: 289.18872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)SC1=CC=C(C=C1)CBr

Isomeric SMILES

CC(C)(C(=O)O)SC1=CC=C(C=C1)CBr

InChI

InChI=1S/C11H13BrO2S/c1-11(2,10(13)14)15-9-5-3-8(7-12)4-6-9/h3-6H,7H2,1-2H3,(H,13,14)