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Reference substances

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IUPAC name:
Reaction Products of fatty acids C5-C9 linear saturated and pentaerythritol

Inventory

EC number:
267-022-2
EC name:
Fatty acids, C5-9, tetraesters with pentaerythritol
CAS number:
67762-53-2
CAS number:
67762-53-2

Synonyms

Molecular and structural information

Molecular formula:
C25H44O8 to C41H76O8
Molecular weight:
>= 472.6 - <= 697.05
SMILES notation:
Example for SMILES code:
O=C(CCCC)OCC(COC(CCCC)=O)(COC(CCCC)=O)COC(CCCC)=O
and
O=C(CCCCCCCC)OCC(COC(CCCCCCCC)=O)(COC(CCCCCCCC)=O)COC(CCCCCCCC)=O
InChl:
Example for InChI:
InChI=1S/C25H44O8/c1-5-9-13-21(26)30-17-25(18-31-22(27)14-10-6-2,19-32-23(28)15-11-7-3)20-33-24(29)16-12-8-4/h5-20H2,1-4H3
and
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
Structural formula:
Chemical structure

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