(2S)-2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanylbutanedioate

Systemtic Name: (2S)-2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanylbutanedioate Openeye Name: (2S)-2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanylbutanedioate CAS Name: (2S)-2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]butanedioate IUPAC Name: (2S)-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylbutanedioate Traditional Name: (2S)-2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]succinate Formula: C12H9ClO5S-2 MolecularWeight: 300.71486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CSC(CC(=O)[O-])C(=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)CS[C@@H](CC(=O)[O-])C(=O)[O-])Cl

InChI

InChI=1S/C12H11ClO5S/c13-8-3-1-7(2-4-8)9(14)6-19-10(12(17)18)5-11(15)16/h1-4,10H,5-6H2,(H,15,16)(H,17,18)/p-2/t10-/m0/s1