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Reference substances

Reference substances

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General information

Inventory

EC number:
220-260-0
EC name:
Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine
CAS number:
2691-41-0

No inventory information available

Reference substance information

IUPAC name:
1,3,5,7-tetranitro-1,3,5,7-tetrazocane
Synonyms
Names:
1,3,5,7-Tetrazocine, octahydro-1,3,5,7-tetranitro-
Identifier:
CAS number
2691-41-0
Identifier:
IUPAC name
1,3,5,7-tetranitro-1,3,5,7-tetrazocane
Identifier:
common name
Octagen
Identifier:
other: InChl
InChI=1/C4H8N8O8/c13-9(14)5-1-6(10(15)16)3-8(12(19)20)4-7(2-5)11(17)18/h1-4H2
Identifier:
other: SMILES notation
N1(CN(CN([N+](=O)[O-])CN(C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Identifier:
other: SMILES notation
[O-][N+](=O)N1CN(CN(CN(C1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine

CAS information

CAS number:
2691-41-0

Molecular and structural information

Molecular formula:
C4H8N8O8
Molecular weight:
ca. 296.155
SMILES notation:
C1N(CN(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChl:
1S/C4H8N8O8/c13-9(14)5-1-6(10(15)16)3-8(12(19)20)4-7(2-5)11(17)18/h1-4H2
Structural formula:
Chemical structure