8-[12-[8-(5-decoxy-3-oxidanyl-5-oxidanylidene-pentanoyl)oxyoctanoyloxy]dodecanoyloxy]octanoic acid

Systemtic Name: 8-[12-[8-(5-decoxy-3-oxidanyl-5-oxidanylidene-pentanoyl)oxyoctanoyloxy]dodecanoyloxy]octanoic acid Openeye Name: 8-[12-[8-(5-decoxy-3-hydroxy-5-oxo-pentanoyl)oxyoctanoyloxy]dodecanoyloxy]octanoic acid CAS Name: 8-[12-[8-(5-decoxy-3-hydroxy-1,5-dioxopentoxy)-1-oxooctoxy]-1-oxododecoxy]octanoic acid IUPAC Name: 8-[12-[8-(5-decoxy-3-hydroxy-5-oxopentanoyl)oxyoctanoyloxy]dodecanoyloxy]octanoic acid Traditional Name: 8-[12-[8-(5-decoxy-3-hydroxy-5-keto-pentanoyl)oxyoctanoyloxy]dodecanoyloxy]caprylic acid Formula: C43H78O11 MolecularWeight: 771.07282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCC(=O)OCCCCCCCCCCCC(=O)OCCCCCCCC(=O)O)O

Isomeric SMILES

CCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCC(=O)OCCCCCCCCCCCC(=O)OCCCCCCCC(=O)O)O

InChI

InChI=1S/C43H78O11/c1-2-3-4-5-6-11-19-27-34-53-42(49)36-38(44)37-43(50)54-35-28-21-14-17-24-31-41(48)51-32-25-18-12-9-7-8-10-16-23-30-40(47)52-33-26-20-13-15-22-29-39(45)46/h38,44H,2-37H2,1H3,(H,45,46)