3-[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfanylpropanoic acid

Systemtic Name: 3-[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfanylpropanoic acid Openeye Name: 3-[(E)-2-(p-tolylsulfonyl)vinyl]sulfanylpropanoic acid CAS Name: 3-[[(E)-2-(4-methylphenyl)sulfonylethenyl]thio]propanoic acid IUPAC Name: 3-[(E)-2-(4-methylphenyl)sulfonylethenyl]sulfanylpropanoic acid Traditional Name: 3-[[(E)-2-tosylvinyl]thio]propionic acid Formula: C12H14O4S2 MolecularWeight: 286.36716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4S2/c1-10-2-4-11(5-3-10)18(15,16)9-8-17-7-6-12(13)14/h2-5,8-9H,6-7H2,1H3,(H,13,14)/b9-8+