diethyl 2-(5-methylsulfanyl-2-oxidanyl-phenyl)-2-oxidanyl-propanedioate

Systemtic Name: diethyl 2-(5-methylsulfanyl-2-oxidanyl-phenyl)-2-oxidanyl-propanedioate Openeye Name: diethyl 2-hydroxy-2-(2-hydroxy-5-methylsulfanyl-phenyl)propanedioate CAS Name: 2-hydroxy-2-[2-hydroxy-5-(methylthio)phenyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-hydroxy-2-(2-hydroxy-5-methylsulfanylphenyl)propanedioate Traditional Name: 2-hydroxy-2-[2-hydroxy-5-(methylthio)phenyl]malonic acid diethyl ester Formula: C14H18O6S MolecularWeight: 314.35412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(C=CC(=C1)SC)O)(C(=O)OCC)O

Isomeric SMILES

CCOC(=O)C(C1=C(C=CC(=C1)SC)O)(C(=O)OCC)O

InChI

InChI=1S/C14H18O6S/c1-4-19-12(16)14(18,13(17)20-5-2)10-8-9(21-3)6-7-11(10)15/h6-8,15,18H,4-5H2,1-3H3