8-[12-[8-[2-(hydroxymethyl)dodecanoyloxy]octanoyloxy]dodecanoyloxy]octanoic acid

Systemtic Name: 8-[12-[8-[2-(hydroxymethyl)dodecanoyloxy]octanoyloxy]dodecanoyloxy]octanoic acid Openeye Name: 8-[12-[8-[2-(hydroxymethyl)dodecanoyloxy]octanoyloxy]dodecanoyloxy]octanoic acid CAS Name: 8-[12-[8-[2-(hydroxymethyl)-1-oxododecoxy]-1-oxooctoxy]-1-oxododecoxy]octanoic acid IUPAC Name: 8-[12-[8-[2-(hydroxymethyl)dodecanoyloxy]octanoyloxy]dodecanoyloxy]octanoic acid Traditional Name: 8-[12-[8-(2-methyloldodecanoyloxy)octanoyloxy]dodecanoyloxy]caprylic acid Formula: C41H76O9 MolecularWeight: 713.03674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CO)C(=O)OCCCCCCCC(=O)OCCCCCCCCCCCC(=O)OCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCC(CO)C(=O)OCCCCCCCC(=O)OCCCCCCCCCCCC(=O)OCCCCCCCC(=O)O

InChI

InChI=1S/C41H76O9/c1-2-3-4-5-6-10-15-22-29-37(36-42)41(47)50-35-28-21-14-18-25-32-40(46)48-33-26-19-12-9-7-8-11-17-24-31-39(45)49-34-27-20-13-16-23-30-38(43)44/h37,42H,2-36H2,1H3,(H,43,44)