2-ethanoyl-4-methyl-2-sulfanyl-pentanoate

Systemtic Name: 2-ethanoyl-4-methyl-2-sulfanyl-pentanoate Openeye Name: 2-acetyl-4-methyl-2-sulfanyl-pentanoate CAS Name: 2-acetyl-2-mercapto-4-methylpentanoate IUPAC Name: 2-acetyl-4-methyl-2-sulfanylpentanoate Traditional Name: 2-acetyl-2-mercapto-4-methyl-valerate Formula: C8H13O3S- MolecularWeight: 189.25202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C)(C(=O)[O-])S

Isomeric SMILES

CC(C)CC(C(=O)C)(C(=O)[O-])S

InChI

InChI=1S/C8H14O3S/c1-5(2)4-8(12,6(3)9)7(10)11/h5,12H,4H2,1-3H3,(H,10,11)/p-1