Analyte Name

1,2,3-Propanetriyl Ester Dodecanedioic Acid Trisodium Salt

CAS Number

226923-64-4

Molecular Formula

C39 H65 Na3 O12

Molecular Weight

794.895

Accurate Mass

794.417

SMILES

[Na]OC(=O)CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(=O)O[Na])OC(=O)CCCCCCCCCCC(=O)O[Na]

InChI

InChI=1S/C39H68O12.3Na/c40-34(41)25-19-13-7-1-4-10-16-22-28-37(46)49-31-33(51-39(48)30-24-18-12-6-3-9-15-21-27-36(44)45)32-50-38(47)29-23-17-11-5-2-8-14-20-26-35(42)43;;;/h33H,1-32H2,(H,40,41)(H,42,43)(H,44,45);;;/q;3*+1/p-3

IUPAC

[12-[1,3-bis[(12-oxo-12-sodiooxydodecanoyl)oxy]propan-2-yloxy]-12-oxododecanoyl]oxysodium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat