methylsulfonyl 2-ethyl-3-methyl-3-pentylsulfanyl-butaneperoxoate

Systemtic Name: methylsulfonyl 2-ethyl-3-methyl-3-pentylsulfanyl-butaneperoxoate Openeye Name: methylsulfonyl 2-ethyl-3-methyl-3-pentylsulfanyl-butaneperoxoate CAS Name: 2-ethyl-3-methyl-3-(pentylthio)butaneperoxoic acid methylsulfonyl ester IUPAC Name: methylsulfonyl 2-ethyl-3-methyl-3-pentylsulfanylbutaneperoxoate Traditional Name: 3-(amylthio)-2-ethyl-3-methyl-peroxybutyric acid mesyl ester Formula: C13H26O5S2 MolecularWeight: 326.47254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC(C)(C)C(CC)C(=O)OOS(=O)(=O)C

Isomeric SMILES

CCCCCSC(C)(C)C(CC)C(=O)OOS(=O)(=O)C

InChI

InChI=1S/C13H26O5S2/c1-6-8-9-10-19-13(3,4)11(7-2)12(14)17-18-20(5,15)16/h11H,6-10H2,1-5H3