2-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]propanoic acid Openeye Name: 2-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]propanoic acid CAS Name: 2-[(4-bromo-2,5-dimethoxyphenyl)methylthio]propanoic acid IUPAC Name: 2-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]propanoic acid Traditional Name: 2-[(4-bromo-2,5-dimethoxy-benzyl)thio]propionic acid Formula: C12H15BrO4S MolecularWeight: 335.2141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CC(=C(C=C1OC)Br)OC

Isomeric SMILES

CC(C(=O)O)SCC1=CC(=C(C=C1OC)Br)OC

InChI

InChI=1S/C12H15BrO4S/c1-7(12(14)15)18-6-8-4-11(17-3)9(13)5-10(8)16-2/h4-5,7H,6H2,1-3H3,(H,14,15)