2,2,4-trimethyl-4-sulfanyl-pentanedioic acid

Systemtic Name: 2,2,4-trimethyl-4-sulfanyl-pentanedioic acid Openeye Name: 2,2,4-trimethyl-4-sulfanyl-pentanedioic acid CAS Name: 2-mercapto-2,4,4-trimethylpentanedioic acid IUPAC Name: 2,2,4-trimethyl-4-sulfanylpentanedioic acid Traditional Name: 2-mercapto-2,4,4-trimethyl-glutaric acid Formula: C8H14O4S MolecularWeight: 206.25936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C)(C(=O)O)S)C(=O)O

Isomeric SMILES

CC(C)(CC(C)(C(=O)O)S)C(=O)O

InChI

InChI=1S/C8H14O4S/c1-7(2,5(9)10)4-8(3,13)6(11)12/h13H,4H2,1-3H3,(H,9,10)(H,11,12)