1-(1-methylsulfanylethylsulfanyl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 1-(1-methylsulfanylethylsulfanyl)ethyl 4-methylbenzenesulfonate Openeye Name: 1-(1-methylsulfanylethylsulfanyl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-[1-(methylthio)ethylthio]ethyl ester IUPAC Name: 1-(1-methylsulfanylethylsulfanyl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-[1-(methylthio)ethylthio]ethyl ester Formula: C12H18O3S3 MolecularWeight: 306.46452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)SC(C)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)SC(C)SC

InChI

InChI=1S/C12H18O3S3/c1-9-5-7-12(8-6-9)18(13,14)15-10(2)17-11(3)16-4/h5-8,10-11H,1-4H3