3-(4-bromophenyl)sulfanylpropanoic acid

Systemtic Name: 3-(4-bromophenyl)sulfanylpropanoic acid Openeye Name: 3-(4-bromophenyl)sulfanylpropanoic acid CAS Name: 3-[(4-bromophenyl)thio]propanoic acid IUPAC Name: 3-(4-bromophenyl)sulfanylpropanoic acid Traditional Name: 3-[(4-bromophenyl)thio]propionic acid Formula: C9H9BrO2S MolecularWeight: 261.13556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1SCCC(=O)O)Br

InChI

InChI=1S/C9H9BrO2S/c10-7-1-3-8(4-2-7)13-6-5-9(11)12/h1-4H,5-6H2,(H,11,12)