2-[(4-chlorophenyl)sulfanylmethyl]-2-oxidanyl-propanedioic acid

Systemtic Name: 2-[(4-chlorophenyl)sulfanylmethyl]-2-oxidanyl-propanedioic acid Openeye Name: 2-[(4-chlorophenyl)sulfanylmethyl]-2-hydroxy-propanedioic acid CAS Name: 2-[[(4-chlorophenyl)thio]methyl]-2-hydroxypropanedioic acid IUPAC Name: 2-[(4-chlorophenyl)sulfanylmethyl]-2-hydroxypropanedioic acid Traditional Name: 2-[[(4-chlorophenyl)thio]methyl]-2-hydroxy-malonic acid Formula: C10H9ClO5S MolecularWeight: 276.69346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCC(C(=O)O)(C(=O)O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1SCC(C(=O)O)(C(=O)O)O)Cl

InChI

InChI=1S/C10H9ClO5S/c11-6-1-3-7(4-2-6)17-5-10(16,8(12)13)9(14)15/h1-4,16H,5H2,(H,12,13)(H,14,15)