2-(2-chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(2-chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(2-chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(2-chloroethylthio)ethyl ester IUPAC Name: 2-(2-chloroethylsulfanyl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(2-chloroethylthio)ethyl ester Formula: C11H15ClO3S2 MolecularWeight: 294.818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15ClO3S2/c1-10-2-4-11(5-3-10)17(13,14)15-7-9-16-8-6-12/h2-5H,6-9H2,1H3