6-(5,5-dimethyl-6-oxidanyl-6-oxidanylidene-hexyl)sulfanyl-2,2-dimethyl-hexanoic acid

Systemtic Name: 6-(5,5-dimethyl-6-oxidanyl-6-oxidanylidene-hexyl)sulfanyl-2,2-dimethyl-hexanoic acid Openeye Name: 6-(6-hydroxy-5,5-dimethyl-6-oxo-hexyl)sulfanyl-2,2-dimethyl-hexanoic acid CAS Name: 6-[(6-hydroxy-5,5-dimethyl-6-oxohexyl)thio]-2,2-dimethylhexanoic acid IUPAC Name: 6-(6-hydroxy-5,5-dimethyl-6-oxohexyl)sulfanyl-2,2-dimethylhexanoic acid Traditional Name: 6-[(6-hydroxy-6-keto-5,5-dimethyl-hexyl)thio]-2,2-dimethyl-hexanoic acid Formula: C16H30O4S MolecularWeight: 318.472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCSCCCCC(C)(C)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(CCCCSCCCCC(C)(C)C(=O)O)C(=O)O

InChI

InChI=1S/C16H30O4S/c1-15(2,13(17)18)9-5-7-11-21-12-8-6-10-16(3,4)14(19)20/h5-12H2,1-4H3,(H,17,18)(H,19,20)