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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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