2-octadecyl-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-henicosanoic acid

Systemtic Name: 2-octadecyl-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-henicosanoic acid Openeye Name: 2-(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanyl-2-octadecyl-henicosanoic acid CAS Name: 2-[(1-hydroxy-1-oxopropan-2-yl)thio]-2-octadecylheneicosanoic acid IUPAC Name: 2-(1-hydroxy-1-oxopropan-2-yl)sulfanyl-2-octadecylhenicosanoic acid Traditional Name: 2-[(2-hydroxy-2-keto-1-methyl-ethyl)thio]-2-stearyl-heneicosanoic acid Formula: C42H82O4S MolecularWeight: 683.16308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(C(=O)O)SC(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)(C(=O)O)SC(C)C(=O)O

InChI

InChI=1S/C42H82O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-42(41(45)46,47-39(3)40(43)44)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h39H,4-38H2,1-3H3,(H,43,44)(H,45,46)