3-ethyl-3-sulfanyl-pentanedioic acid

Systemtic Name: 3-ethyl-3-sulfanyl-pentanedioic acid Openeye Name: 3-ethyl-3-sulfanyl-pentanedioic acid CAS Name: 3-ethyl-3-mercaptopentanedioic acid IUPAC Name: 3-ethyl-3-sulfanylpentanedioic acid Traditional Name: 3-ethyl-3-mercapto-glutaric acid Formula: C7H12O4S MolecularWeight: 192.23278

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)O)(CC(=O)O)S

Isomeric SMILES

CCC(CC(=O)O)(CC(=O)O)S

InChI

InChI=1S/C7H12O4S/c1-2-7(12,3-5(8)9)4-6(10)11/h12H,2-4H2,1H3,(H,8,9)(H,10,11)