2-(phenylcarbonyl)-2-(sulfanylmethyl)pentanedioic acid

Systemtic Name: 2-(phenylcarbonyl)-2-(sulfanylmethyl)pentanedioic acid Openeye Name: 2-benzoyl-2-(sulfanylmethyl)pentanedioic acid CAS Name: 2-benzoyl-2-(mercaptomethyl)pentanedioic acid IUPAC Name: 2-benzoyl-2-(sulfanylmethyl)pentanedioic acid Traditional Name: 2-benzoyl-2-(mercaptomethyl)glutaric acid Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(CCC(=O)O)(CS)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(CCC(=O)O)(CS)C(=O)O

InChI

InChI=1S/C13H14O5S/c14-10(15)6-7-13(8-19,12(17)18)11(16)9-4-2-1-3-5-9/h1-5,19H,6-8H2,(H,14,15)(H,17,18)