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Reference substances

Reference substances

IUPAC name:
bis(1,4,7-triazonane-1,4,7-triium) trisulfate

Inventory

CAS number:
220493-36-7
Synonyms
Names:
1,4,7-triazocyclononane-1,4,7-triium sulfate

Molecular and structural information

Molecular formula:
C12H36N6.3SO4
Molecular weight:
ca. 552.6
SMILES notation:
O=S([O-])([O-])=O.O=S([O-])([O-])=O.O=S([O-])([O-])=O.[NH2+]1CC[NH2+]CC[NH2+]CC1.[NH2+]2CC[NH2+]CC[NH2+]CC2
InChl:
InChI=1S/2C6H15N3.3H2O4S/c2*1-2-8-5-6-9-4-3-7-1;3*1-5(2,3)4/h2*7-9H,1-6H2;3*(H2,1,2,3,4)
Structural formula:
Chemical structure

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