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

Systemtic Name: 8-[12-[8-(3-oxidanyl-5-oxidanylidene-5-tetradecoxy-pentanoyl)oxyoctanoyloxy]dodecanoyloxy]octanoic acid Openeye Name: 8-[12-[8-(3-hydroxy-5-oxo-5-tetradecoxy-pentanoyl)oxyoctanoyloxy]dodecanoyloxy]octanoic acid CAS Name: 8-[12-[8-(3-hydroxy-1,5-dioxo-5-tetradecoxypentoxy)-1-oxooctoxy]-1-oxododecoxy]octanoic acid IUPAC Name: 8-[12-[8-(3-hydroxy-5-oxo-5-tetradecoxypentanoyl)oxyoctanoyloxy]dodecanoyloxy]octanoic acid Traditional Name: 8-[12-[8-(3-hydroxy-5-keto-5-myristyloxy-pentanoyl)oxyoctanoyloxy]dodecanoyloxy]caprylic acid Formula: C47H86O11 MolecularWeight: 827.17914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCC(=O)OCCCCCCCCCCCC(=O)OCCCCCCCC(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCC(=O)OCCCCCCCCCCCC(=O)OCCCCCCCC(=O)O)O

InChI

InChI=1S/C47H86O11/c1-2-3-4-5-6-7-8-9-12-16-23-31-38-57-46(53)40-42(48)41-47(54)58-39-32-25-18-21-28-35-45(52)55-36-29-22-15-13-10-11-14-20-27-34-44(51)56-37-30-24-17-19-26-33-43(49)50/h42,48H,2-41H2,1H3,(H,49,50)