5-methyl-3-oxidanylidene-2-sulfanyl-hexanoic acid

Systemtic Name: 5-methyl-3-oxidanylidene-2-sulfanyl-hexanoic acid Openeye Name: 5-methyl-3-oxo-2-sulfanyl-hexanoic acid CAS Name: 2-mercapto-5-methyl-3-oxohexanoic acid IUPAC Name: 5-methyl-3-oxo-2-sulfanylhexanoic acid Traditional Name: 3-keto-2-mercapto-5-methyl-hexanoic acid Formula: C7H12O3S MolecularWeight: 176.23338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C(C(=O)O)S

Isomeric SMILES

CC(C)CC(=O)C(C(=O)O)S

InChI

InChI=1S/C7H12O3S/c1-4(2)3-5(8)6(11)7(9)10/h4,6,11H,3H2,1-2H3,(H,9,10)