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Reference substances

Reference substances

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IUPAC name:
2,2-bis[(heptanoyloxy)methyl]butyl heptanoate (non-preferred name)

Inventory

EC number:
201-089-0
EC name:
2-ethyl-2-[[(1-oxoheptyl)oxy]methyl]propane-1,3-diyl bisheptanoate
CAS number:
78-16-0
CAS number:
78-16-0
Synonyms
Names:
Heptanoic acid, 2-ethyl-2- (1-oxoheptyl)oxy methyl -1,3-propanediyl ester
Heptanoic acid, 2-ethyl-2-[[(1-oxoheptyl)oxy]methyl]-1,3-propanediyl ester

Molecular and structural information

Molecular formula:
C27H50O6
Molecular weight:
470.682
SMILES notation:
CCCCCCC(=O)OCC(CC)(COC(=O)CCCCCC)COC(=O)CCCCCC
InChl:
InChI=1/C27H50O6/c1-5-9-12-15-18-24(28)31-21-27(8-4,22-32-25(29)19-16-13-10-6-2)23-33-26(30)20-17-14-11-7-3/h5-23H2,1-4H3
Structural formula:
Chemical structure

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