2-(2-methylpropyl)-4-oxidanylidene-5-sulfanyl-pentanoic acid

Systemtic Name: 2-(2-methylpropyl)-4-oxidanylidene-5-sulfanyl-pentanoic acid Openeye Name: 2-isobutyl-4-oxo-5-sulfanyl-pentanoic acid CAS Name: 5-mercapto-2-(2-methylpropyl)-4-oxopentanoic acid IUPAC Name: 2-(2-methylpropyl)-4-oxo-5-sulfanylpentanoic acid Traditional Name: 2-isobutyl-4-keto-5-mercapto-valeric acid Formula: C9H16O3S MolecularWeight: 204.28654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)CS)C(=O)O

Isomeric SMILES

CC(C)CC(CC(=O)CS)C(=O)O

InChI

InChI=1S/C9H16O3S/c1-6(2)3-7(9(11)12)4-8(10)5-13/h6-7,13H,3-5H2,1-2H3,(H,11,12)