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Reference substances

Reference substances

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General information

Inventory

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Reference substance information

IUPAC name:
N-(3-ammoniopropyl)-N'-[(9Z)-octadec-9-en-1-yl]propane-1,3-diaminium triacetate

Molecular and structural information

Molecular formula:
C30H63N3O6
Molecular weight:
561.8
SMILES notation:
O=C([O-])C.[O-]C(C)=O.[O-]C(C)=O.[NH3+]CCC[NH2+]CCC[NH2+]CCCCCCCC/C=C\CCCCCCCC
InChl:
InChI=1/C24H51N3.3C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-23-19-24-27-22-18-20-25;3*1-2(3)4/h9-10,26-27H,2-8,11-25H2,1H3;3*1H3,(H,3,4)/b10-9-;;;
Structural formula:
Chemical structure