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Reference substances

Currently viewing:
IUPAC name:
3-(heptanoyloxy)-2-({3-(heptanoyloxy)-2,2-bis[(heptanoyloxy)methyl]propoxy}methyl)-2-[(heptanoyloxy)methyl]propyl heptanoate (non-preferred name)

Inventory

EC number:
278-580-1
EC name:
2-[[3-[(1-oxoheptyl)oxy]-2,2-bis[[(1-oxoheptyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxoheptyl)oxy]methyl]propane-1,3-diyl bisheptanoate
CAS number:
76939-66-7
CAS number:
76939-66-7

Synonyms

Molecular and structural information

Molecular formula:
C52H94O13
Molecular weight:
927.295
SMILES notation:
CCCCCCC(=O)OCC(COCC(COC(=O)CCCCCC)(COC(=O)CCCCCC)COC(=O)CCCCCC)(COC(=O)CCCCCC)COC(=O)CCCCCC
InChl:
InChI=1/C52H94O13/c1-7-13-19-25-31-45(53)60-39-51(40-61-46(54)32-26-20-14-8-2,41-62-47(55)33-27-21-15-9-3)37-59-38-52(42-63-48(56)34-28-22-16-10-4,43-64-49(57)35-29-23-17-11-5)44-65-50(58)36-30-24-18-12-6/h7-44H2,1-6H3
Structural formula:
Chemical structure

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