2-(2-bromanyl-4-methoxy-phenyl)ethanethioic S-acid

Systemtic Name: 2-(2-bromanyl-4-methoxy-phenyl)ethanethioic S-acid Openeye Name: 2-(2-bromo-4-methoxy-phenyl)ethanethioic S-acid CAS Name: 2-(2-bromo-4-methoxyphenyl)ethanethioic S-acid IUPAC Name: 2-(2-bromo-4-methoxyphenyl)ethanethioic S-acid Traditional Name: 2-(2-bromo-4-methoxy-phenyl)thioacetic acid Formula: C9H9BrO2S MolecularWeight: 261.13556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CC(=O)S)Br

Isomeric SMILES

COC1=CC(=C(C=C1)CC(=O)S)Br

InChI

InChI=1S/C9H9BrO2S/c1-12-7-3-2-6(4-9(11)13)8(10)5-7/h2-3,5H,4H2,1H3,(H,11,13)