dimethyl 2-[2-(dioxidanyl)prop-2-enylsulfanylmethyl]-2,6-dimethyl-4-phenyl-heptanedioate

Systemtic Name: dimethyl 2-[2-(dioxidanyl)prop-2-enylsulfanylmethyl]-2,6-dimethyl-4-phenyl-heptanedioate Openeye Name: dimethyl 2-(2-hydroperoxyallylsulfanylmethyl)-2,6-dimethyl-4-phenyl-heptanedioate CAS Name: 2-[(2-hydroperoxyprop-2-enylthio)methyl]-2,6-dimethyl-4-phenylheptanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(2-hydroperoxyprop-2-enylsulfanylmethyl)-2,6-dimethyl-4-phenylheptanedioate Traditional Name: 2-[(2-hydroperoxyallylthio)methyl]-2,6-dimethyl-4-phenyl-pimelic acid dimethyl ester Formula: C21H30O6S MolecularWeight: 410.5243

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CC(C)(CSCC(=C)OO)C(=O)OC)C1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC(CC(CC(C)(CSCC(=C)OO)C(=O)OC)C1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C21H30O6S/c1-15(19(22)25-4)11-18(17-9-7-6-8-10-17)12-21(3,20(23)26-5)14-28-13-16(2)27-24/h6-10,15,18,24H,2,11-14H2,1,3-5H3