3-butyl-2-methyl-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-icosanoic acid

Systemtic Name: 3-butyl-2-methyl-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-icosanoic acid Openeye Name: 3-butyl-2-(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanyl-2-methyl-icosanoic acid CAS Name: 3-butyl-2-[(1-hydroxy-1-oxopropan-2-yl)thio]-2-methyleicosanoic acid IUPAC Name: 3-butyl-2-(1-hydroxy-1-oxopropan-2-yl)sulfanyl-2-methylicosanoic acid Traditional Name: 3-butyl-2-[(2-hydroxy-2-keto-1-methyl-ethyl)thio]-2-methyl-arachidic acid Formula: C28H54O4S MolecularWeight: 486.79096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCCC)C(C)(C(=O)O)SC(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCCC)C(C)(C(=O)O)SC(C)C(=O)O

InChI

InChI=1S/C28H54O4S/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25(22-8-6-2)28(4,27(31)32)33-24(3)26(29)30/h24-25H,5-23H2,1-4H3,(H,29,30)(H,31,32)