3-ethyl-2-methyl-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-octanoic acid

Systemtic Name: 3-ethyl-2-methyl-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-octanoic acid Openeye Name: 3-ethyl-2-(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanyl-2-methyl-octanoic acid CAS Name: 3-ethyl-2-[(1-hydroxy-1-oxopropan-2-yl)thio]-2-methyloctanoic acid IUPAC Name: 3-ethyl-2-(1-hydroxy-1-oxopropan-2-yl)sulfanyl-2-methyloctanoic acid Traditional Name: 3-ethyl-2-[(2-hydroxy-2-keto-1-methyl-ethyl)thio]-2-methyl-caprylic acid Formula: C14H26O4S MolecularWeight: 290.41884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C(C)(C(=O)O)SC(C)C(=O)O

Isomeric SMILES

CCCCCC(CC)C(C)(C(=O)O)SC(C)C(=O)O

InChI

InChI=1S/C14H26O4S/c1-5-7-8-9-11(6-2)14(4,13(17)18)19-10(3)12(15)16/h10-11H,5-9H2,1-4H3,(H,15,16)(H,17,18)