3-[2-(4-bromophenyl)sulfonylethylsulfanyl]propanoic acid

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]propanoic acid Openeye Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]propanoic acid CAS Name: 3-[2-(4-bromophenyl)sulfonylethylthio]propanoic acid IUPAC Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]propanoic acid Traditional Name: 3-(2-brosylethylthio)propionic acid Formula: C11H13BrO4S2 MolecularWeight: 353.25252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)CCSCCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)CCSCCC(=O)O)Br

InChI

InChI=1S/C11H13BrO4S2/c12-9-1-3-10(4-2-9)18(15,16)8-7-17-6-5-11(13)14/h1-4H,5-8H2,(H,13,14)