ethyl 2-methylsulfonyl-2-phenylsulfanyl-butanoate

Systemtic Name: ethyl 2-methylsulfonyl-2-phenylsulfanyl-butanoate Openeye Name: ethyl 2-methylsulfonyl-2-phenylsulfanyl-butanoate CAS Name: 2-methylsulfonyl-2-(phenylthio)butanoic acid ethyl ester IUPAC Name: ethyl 2-methylsulfonyl-2-phenylsulfanylbutanoate Traditional Name: 2-mesyl-2-(phenylthio)butyric acid ethyl ester Formula: C13H18O4S2 MolecularWeight: 302.40962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)(SC1=CC=CC=C1)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)OCC)(SC1=CC=CC=C1)S(=O)(=O)C

InChI

InChI=1S/C13H18O4S2/c1-4-13(19(3,15)16,12(14)17-5-2)18-11-9-7-6-8-10-11/h6-10H,4-5H2,1-3H3