3-(2-ethylhexyl)-2-methyl-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-tetradecanoic acid

Systemtic Name: 3-(2-ethylhexyl)-2-methyl-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-tetradecanoic acid Openeye Name: 3-(2-ethylhexyl)-2-(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanyl-2-methyl-tetradecanoic acid CAS Name: 3-(2-ethylhexyl)-2-[(1-hydroxy-1-oxopropan-2-yl)thio]-2-methyltetradecanoic acid IUPAC Name: 3-(2-ethylhexyl)-2-(1-hydroxy-1-oxopropan-2-yl)sulfanyl-2-methyltetradecanoic acid Traditional Name: 3-(2-ethylhexyl)-2-[(2-hydroxy-2-keto-1-methyl-ethyl)thio]-2-methyl-myristic acid Formula: C26H50O4S MolecularWeight: 458.7378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(CC)CCCC)C(C)(C(=O)O)SC(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(CC(CC)CCCC)C(C)(C(=O)O)SC(C)C(=O)O

InChI

InChI=1S/C26H50O4S/c1-6-9-11-12-13-14-15-16-17-19-23(20-22(8-3)18-10-7-2)26(5,25(29)30)31-21(4)24(27)28/h21-23H,6-20H2,1-5H3,(H,27,28)(H,29,30)