2-ethanoyl-2-(sulfanylmethyl)pentanedioic acid

Systemtic Name: 2-ethanoyl-2-(sulfanylmethyl)pentanedioic acid Openeye Name: 2-acetyl-2-(sulfanylmethyl)pentanedioic acid CAS Name: 2-acetyl-2-(mercaptomethyl)pentanedioic acid IUPAC Name: 2-acetyl-2-(sulfanylmethyl)pentanedioic acid Traditional Name: 2-acetyl-2-(mercaptomethyl)glutaric acid Formula: C8H12O5S MolecularWeight: 220.24288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12O5S/c1-5(9)8(4-14,7(12)13)3-2-6(10)11/h14H,2-4H2,1H3,(H,10,11)(H,12,13)