2-ethanoyl-4-methyl-2-sulfanyl-pentanoic acid

Systemtic Name: 2-ethanoyl-4-methyl-2-sulfanyl-pentanoic acid Openeye Name: 2-acetyl-4-methyl-2-sulfanyl-pentanoic acid CAS Name: 2-acetyl-2-mercapto-4-methylpentanoic acid IUPAC Name: 2-acetyl-4-methyl-2-sulfanylpentanoic acid Traditional Name: 2-acetyl-2-mercapto-4-methyl-valeric acid Formula: C8H14O3S MolecularWeight: 190.25996

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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)