8-[8-[12-(5-dodecoxy-3-oxidanyl-5-oxidanylidene-pentanoyl)oxydodecanoyloxy]octanoyloxy]octanoic acid

Systemtic Name: 8-[8-[12-(5-dodecoxy-3-oxidanyl-5-oxidanylidene-pentanoyl)oxydodecanoyloxy]octanoyloxy]octanoic acid Openeye Name: 8-[8-[12-(5-dodecoxy-3-hydroxy-5-oxo-pentanoyl)oxydodecanoyloxy]octanoyloxy]octanoic acid CAS Name: 8-[8-[12-(5-dodecoxy-3-hydroxy-1,5-dioxopentoxy)-1-oxododecoxy]-1-oxooctoxy]octanoic acid IUPAC Name: 8-[8-[12-(5-dodecoxy-3-hydroxy-5-oxopentanoyl)oxydodecanoyloxy]octanoyloxy]octanoic acid Traditional Name: 8-[8-[12-(3-hydroxy-5-keto-5-lauryloxy-pentanoyl)oxydodecanoyloxy]octanoyloxy]caprylic acid Formula: C45H82O11 MolecularWeight: 799.12598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCCCCCC(=O)OCCCCCCCC(=O)OCCCCCCCC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCCCCCC(=O)OCCCCCCCC(=O)OCCCCCCCC(=O)O)O

InChI

InChI=1S/C45H82O11/c1-2-3-4-5-6-7-10-13-20-29-36-55-44(51)38-40(46)39-45(52)56-37-30-21-14-11-8-9-12-18-25-32-42(49)54-35-28-23-16-19-26-33-43(50)53-34-27-22-15-17-24-31-41(47)48/h40,46H,2-39H2,1H3,(H,47,48)