12-[8-[8-(5-dodecoxy-3-oxidanyl-5-oxidanylidene-pentanoyl)oxyoctanoyloxy]octanoyloxy]dodecanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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