3-(4-bromophenyl)sulfanyl-2,2-dimethyl-propanoic acid

Systemtic Name: 3-(4-bromophenyl)sulfanyl-2,2-dimethyl-propanoic acid Openeye Name: 3-(4-bromophenyl)sulfanyl-2,2-dimethyl-propanoic acid CAS Name: 3-[(4-bromophenyl)thio]-2,2-dimethylpropanoic acid IUPAC Name: 3-(4-bromophenyl)sulfanyl-2,2-dimethylpropanoic acid Traditional Name: 3-[(4-bromophenyl)thio]-2,2-dimethyl-propionic acid Formula: C11H13BrO2S MolecularWeight: 289.18872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CSC1=CC=C(C=C1)Br)C(=O)O

Isomeric SMILES

CC(C)(CSC1=CC=C(C=C1)Br)C(=O)O

InChI

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