ethyl 2-methyl-3-(2-methylsulfonylsulfanylethoxy)benzoate

Systemtic Name: ethyl 2-methyl-3-(2-methylsulfonylsulfanylethoxy)benzoate Openeye Name: ethyl 2-methyl-3-(2-methylsulfonylsulfanylethoxy)benzoate CAS Name: 2-methyl-3-[2-(methylsulfonylthio)ethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 2-methyl-3-(2-methylsulfonylsulfanylethoxy)benzoate Traditional Name: 3-[2-(mesylthio)ethoxy]-2-methyl-benzoic acid ethyl ester Formula: C13H18O5S2 MolecularWeight: 318.40902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)OCCSS(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)OCCSS(=O)(=O)C)C

InChI

InChI=1S/C13H18O5S2/c1-4-17-13(14)11-6-5-7-12(10(11)2)18-8-9-19-20(3,15)16/h5-7H,4,8-9H2,1-3H3