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Reference substances

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IUPAC name:
3-(nonanoyloxy)-2,2-bis[(nonanoyloxy)methyl]propyl nonanoate

Inventory

EC number:
238-430-8
EC name:
2,2-bis[[(1-oxononyl)oxy]methyl]propane-1,3-diyl dinonan-1-oate
CAS number:
14450-05-6
CAS number:
14450-05-6
Synonyms
Names:
Nonanoic acid, 2,2-bis (1-oxononyl)oxy methyl -1,3-propanediyl ester
Nonanoic acid, 2,2-bis[[(1-oxononyl)oxy]methyl]-1,3-propanediyl ester
Identifier:
IUPAC name
2,2-bis[(nonanoyloxy)methyl]propane-1,3-diyl dinonanoate
Identifier:
IUPAC name
3-(nonanoyloxy)-2,2-bis[(nonanoyloxy)methyl]propyl nonanoate (non-preferred name)
Identifier:
other: InChl
InChI=1S/C41H76O8/c1-5-9-13-17-21-25-29-37(42)46-33-41(34-47-38(43)30-26-22-18-14-10-6-2,35-48-39(44)31-27-23-19-15-11-7-3)36-49-40(45)32-28-24-20-16-12-8-4/h5-36H2,1-4H3
Identifier:
other: SMILES notation
O=C(CCCCCCCC)OCC(COC(=O)CCCCCCCC)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC
2,2-bis[[(1-oxononyl)oxy]methyl]propane-1,3-diyl dinonan-1-oate

Molecular and structural information

Molecular formula:
C41H76O8
Molecular weight:
ca. 697.037
SMILES notation:
CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC
InChl:
InChI=1/C41H76O8/c1-5-9-13-17-21-25-29-37(42)46-33-41(34-47-38(43)30-26-22-18-14-10-6-2,35-48-39(44)31-27-23-19-15-11-7-3)36-49-40(45)32-28-24-20-16-12-8-4/h5-36H2,1-4H3
Structural formula:
Chemical structure

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