dimethyl 2-[2-(dioxidanyl)prop-2-enylsulfanylmethyl]-2,4-dimethyl-pentanedioate

Systemtic Name: dimethyl 2-[2-(dioxidanyl)prop-2-enylsulfanylmethyl]-2,4-dimethyl-pentanedioate Openeye Name: dimethyl 2-(2-hydroperoxyallylsulfanylmethyl)-2,4-dimethyl-pentanedioate CAS Name: 2-[(2-hydroperoxyprop-2-enylthio)methyl]-2,4-dimethylpentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(2-hydroperoxyprop-2-enylsulfanylmethyl)-2,4-dimethylpentanedioate Traditional Name: 2-[(2-hydroperoxyallylthio)methyl]-2,4-dimethyl-glutaric acid dimethyl ester Formula: C13H22O6S MolecularWeight: 306.37518

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(CSCC(=C)OO)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(CC(C)(CSCC(=C)OO)C(=O)OC)C(=O)OC

InChI

InChI=1S/C13H22O6S/c1-9(11(14)17-4)6-13(3,12(15)18-5)8-20-7-10(2)19-16/h9,16H,2,6-8H2,1,3-5H3