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Reference substances

Reference substances

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Inventory

EC number:
266-944-2
EC name:
Glycerides, C12-18
CAS number:
67701-26-2
Description:
This substance is identified by SDA Substance Name: C12-C18 trialkyl glyceride and SDA Reporting Number: 16-001-00.
CAS number:
67701-26-2

Synonyms

Molecular and structural information

Molecular formula:
C39H74O6 to C57H110O6
Molecular weight:
639 - 891.5
SMILES notation:
Examples for SMILES notation:
O=C(CCCCCCCCCCC)OCC(OC(CCCCCCCCCCC)=O)COC(CCCCCCCCCCC)=O
and
O=C(CCCCCCCCCCCCCCCCC)OCC(OC(CCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O
InChl:
Examples for InChI:
InChI=1/C39H74O6/c1-4-7-10-13-16-19-22-25-28-31-37(40)43-34-36(45-39(42)33-30-27-24-21-18-15-12-9-6-3)35-44-38(41)32-29-26-23-20-17-14-11-8-5-2/h36H,4-35H2,1-3H3
and
InChI=1/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
Structural formula:
Chemical structure

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