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

Systemtic Name: 3-dodecyl-2-methyl-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-icosanoic acid Openeye Name: 3-dodecyl-2-(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanyl-2-methyl-icosanoic acid CAS Name: 3-dodecyl-2-[(1-hydroxy-1-oxopropan-2-yl)thio]-2-methyleicosanoic acid IUPAC Name: 3-dodecyl-2-(1-hydroxy-1-oxopropan-2-yl)sulfanyl-2-methylicosanoic acid Traditional Name: 2-[(2-hydroxy-2-keto-1-methyl-ethyl)thio]-3-lauryl-2-methyl-arachidic acid Formula: C36H70O4S MolecularWeight: 599.0036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H70O4S/c1-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33(36(4,35(39)40)41-32(3)34(37)38)30-28-26-24-22-16-14-12-10-8-6-2/h32-33H,5-31H2,1-4H3,(H,37,38)(H,39,40)