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

Systemtic Name: 3,3-didodecyl-2-methyl-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-icosanoic acid Openeye Name: 3,3-didodecyl-2-(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanyl-2-methyl-icosanoic acid CAS Name: 3,3-didodecyl-2-[(1-hydroxy-1-oxopropan-2-yl)thio]-2-methyleicosanoic acid IUPAC Name: 3,3-didodecyl-2-(1-hydroxy-1-oxopropan-2-yl)sulfanyl-2-methylicosanoic acid Traditional Name: 2-[(2-hydroxy-2-keto-1-methyl-ethyl)thio]-3,3-dilauryl-2-methyl-arachidic acid Formula: C48H94O4S MolecularWeight: 767.32256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)(CCCCCCCCCCCC)C(C)(C(=O)O)SC(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCC)(CCCCCCCCCCCC)C(C)(C(=O)O)SC(C)C(=O)O

InChI

InChI=1S/C48H94O4S/c1-6-9-12-15-18-21-24-25-26-27-28-31-34-37-40-43-48(47(5,46(51)52)53-44(4)45(49)50,41-38-35-32-29-22-19-16-13-10-7-2)42-39-36-33-30-23-20-17-14-11-8-3/h44H,6-43H2,1-5H3,(H,49,50)(H,51,52)