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

Systemtic Name: 8-[12-[12-(5-dodecoxy-3-oxidanyl-5-oxidanylidene-pentanoyl)oxydodecanoyloxy]dodecanoyloxy]octanoic acid Openeye Name: 8-[12-[12-(5-dodecoxy-3-hydroxy-5-oxo-pentanoyl)oxydodecanoyloxy]dodecanoyloxy]octanoic acid CAS Name: 8-[12-[12-(5-dodecoxy-3-hydroxy-1,5-dioxopentoxy)-1-oxododecoxy]-1-oxododecoxy]octanoic acid IUPAC Name: 8-[12-[12-(5-dodecoxy-3-hydroxy-5-oxopentanoyl)oxydodecanoyloxy]dodecanoyloxy]octanoic acid Traditional Name: 8-[12-[12-(3-hydroxy-5-keto-5-lauryloxy-pentanoyl)oxydodecanoyloxy]dodecanoyloxy]caprylic acid Formula: C49H90O11 MolecularWeight: 855.2323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H90O11/c1-2-3-4-5-6-7-12-18-25-33-40-59-48(55)42-44(50)43-49(56)60-41-34-26-19-14-9-11-16-23-29-36-46(53)57-38-31-24-17-13-8-10-15-22-30-37-47(54)58-39-32-27-20-21-28-35-45(51)52/h44,50H,2-43H2,1H3,(H,51,52)