3-[2-(4-methylphenyl)sulfanylethylsulfanyl]propanoic acid

Systemtic Name: 3-[2-(4-methylphenyl)sulfanylethylsulfanyl]propanoic acid Openeye Name: 3-[2-(p-tolylsulfanyl)ethylsulfanyl]propanoic acid CAS Name: 3-[2-[(4-methylphenyl)thio]ethylthio]propanoic acid IUPAC Name: 3-[2-(4-methylphenyl)sulfanylethylsulfanyl]propanoic acid Traditional Name: 3-[2-(p-tolylthio)ethylthio]propionic acid Formula: C12H16O2S2 MolecularWeight: 256.38424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCSCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCCSCCC(=O)O

InChI

InChI=1S/C12H16O2S2/c1-10-2-4-11(5-3-10)16-9-8-15-7-6-12(13)14/h2-5H,6-9H2,1H3,(H,13,14)