2-octadecyl-2-[1-(4-oxidanyl-4-oxidanylidene-butan-2-yl)sulfanylethyl]icosanoic acid

Systemtic Name: 2-octadecyl-2-[1-(4-oxidanyl-4-oxidanylidene-butan-2-yl)sulfanylethyl]icosanoic acid Openeye Name: 2-[1-(3-hydroxy-1-methyl-3-oxo-propyl)sulfanylethyl]-2-octadecyl-icosanoic acid CAS Name: 2-[1-[(4-hydroxy-4-oxobutan-2-yl)thio]ethyl]-2-octadecyleicosanoic acid IUPAC Name: 2-[1-(4-hydroxy-4-oxobutan-2-yl)sulfanylethyl]-2-octadecylicosanoic acid Traditional Name: 2-[1-[(3-hydroxy-3-keto-1-methyl-propyl)thio]ethyl]-2-stearyl-arachidic acid Formula: C44H86O4S MolecularWeight: 711.21624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(C(C)SC(C)CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(C(C)SC(C)CC(=O)O)C(=O)O

InChI

InChI=1S/C44H86O4S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-44(43(47)48,41(4)49-40(3)39-42(45)46)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h40-41H,5-39H2,1-4H3,(H,45,46)(H,47,48)