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Reference substances

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IUPAC name:
3-(docosanoyloxy)-2,2-bis[(docosanoyloxy)methyl]propyl docosanoate (non-preferred name)

Inventory

EC number:
262-895-6
EC name:
2,2-bis[[(1-oxodocosyl)oxy]methyl]propane-1,3-diyl didocosanoate
CAS number:
61682-73-3
CAS number:
61682-73-3
Synonyms
Names:
Docosanoic acid, 2,2-bis[[(1-oxodocosyl)oxy]methyl]-1,3-propanediyl ester

Molecular and structural information

Molecular formula:
C93H180O8
Molecular weight:
1 426.419
SMILES notation:
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC
InChl:
InChI=1/C93H180O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77-81-89(94)98-85-93(86-99-90(95)82-78-74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,87-100-91(96)83-79-75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)88-101-92(97)84-80-76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-88H2,1-4H3
Structural formula:
Chemical structure

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