dimethyl 2-(3-methyl-4-methylsulfanyl-phenyl)-2-oxidanyl-propanedioate

Systemtic Name: dimethyl 2-(3-methyl-4-methylsulfanyl-phenyl)-2-oxidanyl-propanedioate Openeye Name: dimethyl 2-hydroxy-2-(3-methyl-4-methylsulfanyl-phenyl)propanedioate CAS Name: 2-hydroxy-2-[3-methyl-4-(methylthio)phenyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-hydroxy-2-(3-methyl-4-methylsulfanylphenyl)propanedioate Traditional Name: 2-hydroxy-2-[3-methyl-4-(methylthio)phenyl]malonic acid dimethyl ester Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C(=O)OC)(C(=O)OC)O)SC

Isomeric SMILES

CC1=C(C=CC(=C1)C(C(=O)OC)(C(=O)OC)O)SC

InChI

InChI=1S/C13H16O5S/c1-8-7-9(5-6-10(8)19-4)13(16,11(14)17-2)12(15)18-3/h5-7,16H,1-4H3