2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanylbutanedioic acid

Systemtic Name: 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanylbutanedioic acid Openeye Name: 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanylbutanedioic acid CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]butanedioic acid IUPAC Name: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylbutanedioic acid Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]succinic acid Formula: C12H11ClO5S MolecularWeight: 302.73074

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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)CSC(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)