disodium 2-[2-(4-methylphenyl)sulfonylethylsulfanyl]butanedioate

Systemtic Name: disodium 2-[2-(4-methylphenyl)sulfonylethylsulfanyl]butanedioate Openeye Name: disodium 2-[2-(p-tolylsulfonyl)ethylsulfanyl]butanedioate CAS Name: disodium 2-[2-(4-methylphenyl)sulfonylethylthio]butanedioate IUPAC Name: disodium 2-[2-(4-methylphenyl)sulfonylethylsulfanyl]butanedioate Traditional Name: disodium 2-(2-tosylethylthio)succinate Formula: C13H14Na2O6S2 MolecularWeight: 376.3562

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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-].[Na+].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCSC(CC(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C13H16O6S2.2Na/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);;/q;2*+1/p-2