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Reference substances

Reference substances

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General information

Inventory

EC number:
201-084-3
EC name:
Pentaerithrityl tetranitrate
CAS number:
78-11-5

No inventory information available

Reference substance information

IUPAC name:
3-(nitrooxy)-2,2-bis[(nitrooxy)methyl]propyl nitrate (non-preferred name)
Synonyms
Names:
1,3-Propanediol, 2,2-bis (nitrooxy)methyl -, dinitrate (ester)
1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate (ester)

CAS information

CAS number:
78-11-5

Molecular and structural information

Molecular formula:
C5H8N4O12
Molecular weight:
316.137
SMILES notation:
[O-][N+](=O)OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]
InChl:
InChI=1/C5H8N4O12/c10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h1-4H2
Structural formula:
Chemical structure