2-[2-(4-methylphenyl)sulfonylethylsulfanyl]butanedioic acid

Systemtic Name: 2-[2-(4-methylphenyl)sulfonylethylsulfanyl]butanedioic acid Openeye Name: 2-[2-(p-tolylsulfonyl)ethylsulfanyl]butanedioic acid CAS Name: 2-[2-(4-methylphenyl)sulfonylethylthio]butanedioic acid IUPAC Name: 2-[2-(4-methylphenyl)sulfonylethylsulfanyl]butanedioic acid Traditional Name: 2-(2-tosylethylthio)succinic acid Formula: C13H16O6S2 MolecularWeight: 332.39254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O6S2/c1-9-2-4-10(5-3-9)21(18,19)7-6-20-11(13(16)17)8-12(14)15/h2-5,11H,6-8H2,1H3,(H,14,15)(H,16,17)