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Reference substances

Reference substances

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IUPAC name:
2,2-bis[(decanoyloxy)methyl]-3-(octanoyloxy)propyl 2-[(decanoyloxy)methyl]-3-(octanoyloxy)-2-[(octanoyloxy)methyl]propyl hexanedioate

Inventory

Synonyms

Molecular and structural information

Molecular formula:
C70H126O16
Molecular weight:
1 223.7
SMILES notation:
O=C(CCCCCCCCC)OCC(COC(=O)CCCCCCCCC)(COC(=O)CCCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCC)COC(=O)CCCCCCC
InChl:
InChI=1S/C70H126O16/c1-7-13-19-25-28-34-40-48-64(74)82-56-69(53-79-61(71)45-37-31-22-16-10-4,54-80-62(72)46-38-32-23-17-11-5)59-85-67(77)51-43-44-52-68(78)86-60-70(55-81-63(73)47-39-33-24-18-12-6,57-83-65(75)49-41-35-29-26-20-14-8-2)58-84-66(76)50-42-36-30-27-21-15-9-3/h7-60H2,1-6H3
Structural formula:
Chemical structure

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