1-methylsulfanylethyl 4-methylbenzenesulfonate

Systemtic Name: 1-methylsulfanylethyl 4-methylbenzenesulfonate Openeye Name: 1-methylsulfanylethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-(methylthio)ethyl ester IUPAC Name: 1-methylsulfanylethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-(methylthio)ethyl ester Formula: C10H14O3S2 MolecularWeight: 246.34636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O3S2/c1-8-4-6-10(7-5-8)15(11,12)13-9(2)14-3/h4-7,9H,1-3H3