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Reference substances

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IUPAC name:
propane-1,2,3-triyl tris(12-hydroxyoctadecanoate)

Inventory

EC number:
205-364-6
EC name:
1,2,3-propanetriyl tris(12-hydroxyoctadecanoate)
CAS number:
139-44-6
CAS number:
139-44-6
Synonyms
Names:
Octadecanoic acid, 12-hydroxy-, 1,2,3-propanetriyl ester
Identifier:
IUPAC name
1,2,3-propanetriyl tris(12-hydroxyoctadecanoate)
Identifier:
IUPAC name
2,3-bis(12-hydroxyoctadecanoyloxy)propyl 12-hydroxyoctadecanoate
Identifier:
common name
Octadecanoic acid, 12-hydroxy-, 1,2,3-propanetriyl ester
Identifier:
other: SMILES notation
CCCCCCC(CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(CCCCCC)O)OC(=O)CCCCCCCCCCC(CCCCCC)O)O

Molecular and structural information

Molecular formula:
C57H110O9
Molecular weight:
939.478
SMILES notation:
CCCCCCC(O)CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(O)CCCCCC)OC(=O)CCCCCCCCCCC(O)CCCCCC
InChl:
InChI=1/C57H110O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h51-54,58-60H,4-50H2,1-3H3
Structural formula:
Chemical structure

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