Registration Dossier

Reference substances

Reference substances

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IUPAC name:
2,2-bis[(nonanoyloxy)methyl]butyl 2-(hydroxymethyl)-2-[(nonanoyloxy)methyl]butyl 9,20,31-triethyl-9,20,31-tris[(nonanoyloxy)methyl]-6,12,17,23,28,34-hexaoxo-7,11,18,22,29,33-hexaoxanonatriacontane-1,39-dioate

Inventory

Synonyms

Molecular and structural information

Molecular formula:
C108H190O29
Molecular weight:
1 952.65
SMILES notation:
O=C(OCC(COC(=O)CCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCC)(COC(=O)CCCCCCCC)CC)CCCCC(=O)OCC(CC)(COC(=O)CCCCCCCC)COC(=O)CCCCC(=O)OCC(CC)(COC(=O)CCCCCCCC)COC(=O)CCCCC(=O)OCC(COC(=O)CCCCCCCC)(COC(=O)CCCCCCCC)CC
InChl:
InChI=1S/C108H190O29/c1-12-23-29-35-41-47-61-90(110)124-76-104(18-7,75-109)77-125-96(116)67-53-54-68-97(117)132-84-106(20-9,80-128-93(113)64-50-44-38-32-26-15-4)85-133-100(120)71-57-58-72-101(121)136-88-108(22-11,82-130-95(115)66-52-46-40-34-28-17-6)89-137-103(123)74-60-59-73-102(122)135-87-107(21-10,81-129-94(114)65-51-45-39-33-27-16-5)86-134-99(119)70-56-55-69-98(118)131-83-105(19-8,78-126-91(111)62-48-42-36-30-24-13-2)79-127-92(112)63-49-43-37-31-25-14-3/h109H,12-89H2,1-11H3
Structural formula:
Chemical structure

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