dimethyl 2-(4-ethylsulfanylphenyl)-2-oxidanyl-propanedioate

Systemtic Name: dimethyl 2-(4-ethylsulfanylphenyl)-2-oxidanyl-propanedioate Openeye Name: dimethyl 2-(4-ethylsulfanylphenyl)-2-hydroxy-propanedioate CAS Name: 2-[4-(ethylthio)phenyl]-2-hydroxypropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(4-ethylsulfanylphenyl)-2-hydroxypropanedioate Traditional Name: 2-[4-(ethylthio)phenyl]-2-hydroxy-malonic acid dimethyl ester Formula: C13H16O5S MolecularWeight: 284.32814

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)C(C(=O)OC)(C(=O)OC)O

Isomeric SMILES

CCSC1=CC=C(C=C1)C(C(=O)OC)(C(=O)OC)O

InChI

InChI=1S/C13H16O5S/c1-4-19-10-7-5-9(6-8-10)13(16,11(14)17-2)12(15)18-3/h5-8,16H,4H2,1-3H3