Basic information
- CAS
8065-53-0- Standard SMILES
Cc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-].O=[N+]([O-])C1NC([N+](=O)[O-])NC([N+](=O)[O-])N1.O=[N+]([O-])C1NC([N+](=O)[O-])NC([N+](=O)[O-])N1.O=[N+]([O-])C1NC([N+](=O)[O-])NC([N+](=O)[O-])N1- InChIKey
XOAXPOWWXKXEOY-UHFFFAOYSA-N- Molecular formula
- C16H23N21O24
- Average molar mass
- 893.5 g/mol
- Monoisotopic mass
- 893.12248069
Names & identifiers
- Preferred name
- 2,4,6-Trinitro-1,3,5-triazinane--2-methyl-1,3,5-trinitrobenzene (3/1)
- IUPAC
- 2-methyl-1,3,5-trinitrobenzene;tris(2,4,6-trinitro-1,3,5-triazinane)
Names & synonyms
DTXSID8010013922,4,6-Trinitro-1,3,5-triazinane--2-methyl-1,3,5-trinitrobenzene (3/1)
Database identifiers
- CAS
8065-53-0- PubChem CID
- 62691
- DTXSID
DTXSID801001392
Properties
Computed structural properties
- Topological polar surface area
- 658 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 33
- Rotatable bonds
- 0
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 521
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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