2-propanoyl-2-(sulfanylmethyl)pentanedioic acid

Systemtic Name: 2-propanoyl-2-(sulfanylmethyl)pentanedioic acid Openeye Name: 2-propanoyl-2-(sulfanylmethyl)pentanedioic acid CAS Name: 2-(mercaptomethyl)-2-(1-oxopropyl)pentanedioic acid IUPAC Name: 2-propanoyl-2-(sulfanylmethyl)pentanedioic acid Traditional Name: 2-(mercaptomethyl)-2-propionyl-glutaric acid Formula: C9H14O5S MolecularWeight: 234.26946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CCC(=O)O)(CS)C(=O)O

Isomeric SMILES

CCC(=O)C(CCC(=O)O)(CS)C(=O)O

InChI

InChI=1S/C9H14O5S/c1-2-6(10)9(5-15,8(13)14)4-3-7(11)12/h15H,2-5H2,1H3,(H,11,12)(H,13,14)