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Reference substances

Reference substances

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IUPAC name:
2,2-bis(hydroxymethyl)propane-1,3-diyl bisoctadec-9-enoate

Inventory

EC number:
246-665-2
EC name:
2,2-bis(hydroxymethyl)-1,3-propanediyl dioleate
CAS number:
25151-96-6
CAS number:
25151-96-6
Synonyms
Names:
9-Octadecenoic acid (9Z)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester
9-Octadecenoic acid (Z)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester

Molecular and structural information

Molecular formula:
C41H76O6
Molecular weight:
665.038
SMILES notation:
CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCC\C=C/CCCCCCCC
InChl:
InChI=1/C41H76O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)46-37-41(35-42,36-43)38-47-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,42-43H,3-16,21-38H2,1-2H3
Structural formula:
Chemical structure

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