2-ethanoyl-3-sulfanyl-pentanoic acid

Systemtic Name: 2-ethanoyl-3-sulfanyl-pentanoic acid Openeye Name: 2-acetyl-3-sulfanyl-pentanoic acid CAS Name: 2-acetyl-3-mercaptopentanoic acid IUPAC Name: 2-acetyl-3-sulfanylpentanoic acid Traditional Name: 2-acetyl-3-mercapto-valeric acid Formula: C7H12O3S MolecularWeight: 176.23338

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C(=O)C)C(=O)O)S

Isomeric SMILES

CCC(C(C(=O)C)C(=O)O)S

InChI

InChI=1S/C7H12O3S/c1-3-5(11)6(4(2)8)7(9)10/h5-6,11H,3H2,1-2H3,(H,9,10)