2-(5-methyl-5-oxidanyl-4-oxidanylidene-hexan-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(5-methyl-5-oxidanyl-4-oxidanylidene-hexan-2-yl)sulfanylethanoic acid Openeye Name: 2-(4-hydroxy-1,4-dimethyl-3-oxo-pentyl)sulfanylacetic acid CAS Name: 2-[(5-hydroxy-5-methyl-4-oxohexan-2-yl)thio]acetic acid IUPAC Name: 2-(5-hydroxy-5-methyl-4-oxohexan-2-yl)sulfanylacetic acid Traditional Name: 2-[(4-hydroxy-3-keto-1,4-dimethyl-pentyl)thio]acetic acid Formula: C9H16O4S MolecularWeight: 220.28594

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C(C)(C)O)SCC(=O)O

Isomeric SMILES

CC(CC(=O)C(C)(C)O)SCC(=O)O

InChI

InChI=1S/C9H16O4S/c1-6(14-5-8(11)12)4-7(10)9(2,3)13/h6,13H,4-5H2,1-3H3,(H,11,12)