3-(4-methylphenyl)sulfonylsulfanylpropanoic acid

Systemtic Name: 3-(4-methylphenyl)sulfonylsulfanylpropanoic acid Openeye Name: 3-(p-tolylsulfonylsulfanyl)propanoic acid CAS Name: 3-[(4-methylphenyl)sulfonylthio]propanoic acid IUPAC Name: 3-(4-methylphenyl)sulfonylsulfanylpropanoic acid Traditional Name: 3-(tosylthio)propionic acid Formula: C10H12O4S2 MolecularWeight: 260.32988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)SCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)SCCC(=O)O

InChI

InChI=1S/C10H12O4S2/c1-8-2-4-9(5-3-8)16(13,14)15-7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)