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Reference substances

Reference substances

Currently viewing:
IUPAC name:
3-(decanoyloxy)-2,2-bis[(decanoyloxy)methyl]propyl decanoate (non-preferred name)

Inventory

EC number:
237-441-5
EC name:
2,2-bis[[(1-oxodecyl)oxy]methyl]-1,3-propanediyl didecanoate
CAS number:
13784-61-7
CAS number:
13784-61-7
Synonyms
Names:
Decanoic acid, 2,2-bis[[(1-oxodecyl)oxy]methyl]-1,3-propanediyl ester
Decanoic acid, neopentanetetrayl ester
Identifier:
IUPAC name
2,2-bis[[(1-oxodecyl)oxy]methyl]-1,3-propanediyl didecanoate
Identifier:
other: InChl
InChI=1S/C45H84O8/c1-5-9-13-17-21-25-29-33-41(46)50-37-45(38-51-42(47)34-30-26-22-18-14-10-6-2,39-52-43(48)35-31-27-23-19-15-11-7-3)40-53-44(49)36-32-28-24-20-16-12-8-4/h5-40H2,1-4H3

Molecular and structural information

Molecular formula:
C45H84O8
Molecular weight:
753.144
SMILES notation:
CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC
InChl:
InChI=1/C45H84O8/c1-5-9-13-17-21-25-29-33-41(46)50-37-45(38-51-42(47)34-30-26-22-18-14-10-6-2,39-52-43(48)35-31-27-23-19-15-11-7-3)40-53-44(49)36-32-28-24-20-16-12-8-4/h5-40H2,1-4H3
Structural formula:
Chemical structure

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