Registration Dossier

Reference substances

Reference substances

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General information

Inventory

No inventory information available

Reference substance information

IUPAC name:
2-henicosyl-1-(2-icosanamidoethyl)-1-methyl-4,5-dihydro-1H-imidazol-1-ium methyl sulfate

Molecular and structural information

Molecular formula:
C44H89N3O5S1
Molecular weight:
ca. 772.28
SMILES notation:
COS([O-])(=O)=O.CCCCCCCCCCCCCCCCCCCCCC1=NCC[N+]1(C)CCNC(=O)CCCCCCCCCCCCCCCCCCC
InChl:
InChI=1/C47H93N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-23-25-26-28-30-32-34-36-38-40-46-48-42-44-50(46,3)45-43-49-47(51)41-39-37-35-33-31-29-27-24-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h4-45H2,1-3H3;1H3,(H,2,3,4)
Structural formula:
Chemical structure