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Reference substances

Currently viewing:
IUPAC name:
[3-octadecanoyloxy-2-[[3-octadecanoyloxy-2,2-bis(octadecanoyloxymethyl)propoxy]methyl]-2-(octadecanoyloxymethyl)propyl] octadecanoate

Inventory

CAS number:
70969-57-2
Synonyms
Names:
Identifier:
IUPAC name
Octadecanoic acid, 1,1'-[2-[[3-[(1-oxooctadecyl)oxy]-2,2-bis[[(1-oxooctadecyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl] ester
Identifier:
IUPAC name
Octadecanoic acid, 2-[[3-[(1-oxooctadecyl)oxy]-2,2-bis[[(1-oxooctadecyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl ester
Identifier:
other: Molecular formula
C118H226O13
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCCCC(OCC(COC(CCCCCCCCCCCCCCCCC)=O)(COCC(COC(CCCCCCCCCCCCCCCCC)=O)(COC(CCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O)=O
2-({3-(octadecanoyloxy)-2,2-bis[(octadecanoyloxy)methyl]propoxy}methyl)-2-[(octadecanoyloxy)methyl]propane-1,3-diyl dioctadecanoate

Molecular and structural information

Molecular formula:
C118H226O13
Molecular weight:
1 853.05
SMILES notation:
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
InChl:
InChI=1S/C118H226O13/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-91-97-111(119)126-105-117(106-127-112(120)98-92-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2,107-128-113(121)99-93-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)103-125-104-118(108-129-114(122)100-94-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4,109-130-115(123)101-95-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)110-131-116(124)102-96-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6/h7-110H2,1-6H3
Structural formula:
Chemical structure

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