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6-[8-[6-[8-(5-dodecoxy-3-oxidanyl-5-oxidanylidene-pentanoyl)oxyoctanoyloxy]hexanoyloxy]octanoyloxy]hexanoic acid

6-[8-[6-[8-(5-dodecoxy-3-oxidanyl-5-oxidanylidene-pentanoyl)oxyoctanoyloxy]hexanoyloxy]octanoyloxy]hexanoic acid

Systemtic Name:6-[8-[6-[8-(5-dodecoxy-3-oxidanyl-5-oxidanylidene-pentanoyl)oxyoctanoyloxy]hexanoyloxy]octanoyloxy]hexanoic acid
Openeye Name:6-[8-[6-[8-(5-dodecoxy-3-hydroxy-5-oxo-pentanoyl)oxyoctanoyloxy]hexanoyloxy]octanoyloxy]hexanoic acid
CAS Name:6-[8-[6-[8-(5-dodecoxy-3-hydroxy-1,5-dioxopentoxy)-1-oxooctoxy]-1-oxohexoxy]-1-oxooctoxy]hexanoic acid
IUPAC Name:6-[8-[6-[8-(5-dodecoxy-3-hydroxy-5-oxopentanoyl)oxyoctanoyloxy]hexanoyloxy]octanoyloxy]hexanoic acid
Traditional Name:6-[8-[6-[8-(3-hydroxy-5-keto-5-lauryloxy-pentanoyl)oxyoctanoyloxy]hexanoyloxy]octanoyloxy]hexanoic acid
Formula: C45H80O13
MolecularWeight: 829.1089
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCC(=O)OCCCCCC(=O)OCCCCCCCC(=O)OCCCCCC(=O)O)O


Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCC(=O)OCCCCCC(=O)OCCCCCCCC(=O)OCCCCCC(=O)O)O


InChI

InChI=1S/C45H80O13/c1-2-3-4-5-6-7-8-9-14-24-35-57-44(52)37-39(46)38-45(53)58-36-25-16-11-13-21-30-42(50)56-34-27-18-22-31-43(51)54-32-23-15-10-12-20-29-41(49)55-33-26-17-19-28-40(47)48/h39,46H,2-38H2,1H3,(H,47,48)


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