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Reference substances

Reference substances

Currently viewing:
IUPAC name:
Glycerides, C16-18 (even numbered)

Inventory

EC number:
268-084-3
EC name:
Glycerides, C16-18
CAS number:
68002-71-1
Description:
This substance is identified by SDA Substance Name: C16-C18 trialkyl glyceride and SDA Reporting Number: 19-001-00.
CAS number:
68002-71-1
Synonyms
Names:
Identifier:
IUPAC name
Glycerides, C16-18
Identifier:
other: Molecular formula
Not applicable

Molecular and structural information

Molecular formula:
C51H98O6, C53H102O6
C57H110O6
Molecular weight:
>= 807.32 - <= 891.48
SMILES notation:
examples of possible structures:
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC (lower molecular weight limit)
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC (upper molecular weight limit)
InChl:
examples of possible structures:
InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3 (lower molecular weight limit)
InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3 (upper molecular weight limit)
Structural formula:
Chemical structure

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