2-(2-methylsulfonylsulfanylethoxy)ethyl 4-methylbenzoate

Systemtic Name: 2-(2-methylsulfonylsulfanylethoxy)ethyl 4-methylbenzoate Openeye Name: 2-(2-methylsulfonylsulfanylethoxy)ethyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 2-[2-(methylsulfonylthio)ethoxy]ethyl ester IUPAC Name: 2-(2-methylsulfonylsulfanylethoxy)ethyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 2-[2-(mesylthio)ethoxy]ethyl ester Formula: C13H18O5S2 MolecularWeight: 318.40902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCCOCCSS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCCOCCSS(=O)(=O)C

InChI

InChI=1S/C13H18O5S2/c1-11-3-5-12(6-4-11)13(14)18-8-7-17-9-10-19-20(2,15)16/h3-6H,7-10H2,1-2H3