2-[8-[12-[8-(5-dodecoxy-3-oxidanyl-5-oxidanylidene-pentanoyl)oxyoctanoyloxy]dodecanoyloxy]octanoyloxymethyl]dodecanoic acid

Systemtic Name: 2-[8-[12-[8-(5-dodecoxy-3-oxidanyl-5-oxidanylidene-pentanoyl)oxyoctanoyloxy]dodecanoyloxy]octanoyloxymethyl]dodecanoic acid Openeye Name: 2-[8-[12-[8-(5-dodecoxy-3-hydroxy-5-oxo-pentanoyl)oxyoctanoyloxy]dodecanoyloxy]octanoyloxymethyl]dodecanoic acid CAS Name: 2-[[8-[12-[8-(5-dodecoxy-3-hydroxy-1,5-dioxopentoxy)-1-oxooctoxy]-1-oxododecoxy]-1-oxooctoxy]methyl]dodecanoic acid IUPAC Name: 2-[8-[12-[8-(5-dodecoxy-3-hydroxy-5-oxopentanoyl)oxyoctanoyloxy]dodecanoyloxy]octanoyloxymethyl]dodecanoic acid Traditional Name: 2-[8-[12-[8-(3-hydroxy-5-keto-5-lauryloxy-pentanoyl)oxyoctanoyloxy]dodecanoyloxy]octanoyloxymethyl]lauric acid Formula: C58H106O13 MolecularWeight: 1011.45444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCC(=O)OCCCCCCCCCCCC(=O)OCCCCCCCC(=O)OCC(CCCCCCCCCC)C(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCC(=O)OCCCCCCCCCCCC(=O)OCCCCCCCC(=O)OCC(CCCCCCCCCC)C(=O)O)O

InChI

InChI=1S/C58H106O13/c1-3-5-7-9-11-13-16-21-29-38-46-69-56(63)48-52(59)49-57(64)70-47-39-31-22-26-34-42-54(61)67-44-36-28-20-17-14-15-19-25-33-41-53(60)68-45-37-30-23-27-35-43-55(62)71-50-51(58(65)66)40-32-24-18-12-10-8-6-4-2/h51-52,59H,3-50H2,1-2H3,(H,65,66)