2-methylsulfonylsulfanylethyl 4-phenylbutanoate

Systemtic Name: 2-methylsulfonylsulfanylethyl 4-phenylbutanoate Openeye Name: 2-methylsulfonylsulfanylethyl 4-phenylbutanoate CAS Name: 4-phenylbutanoic acid 2-(methylsulfonylthio)ethyl ester IUPAC Name: 2-methylsulfonylsulfanylethyl 4-phenylbutanoate Traditional Name: 4-phenylbutyric acid 2-(mesylthio)ethyl ester Formula: C13H18O4S2 MolecularWeight: 302.40962

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)SCCOC(=O)CCCC1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)SCCOC(=O)CCCC1=CC=CC=C1

InChI

InChI=1S/C13H18O4S2/c1-19(15,16)18-11-10-17-13(14)9-5-8-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3