Basic information
- CAS
52427-27-7- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1- InChIKey
LSKNYOCHCCPEJT-UHFFFAOYSA-N- Molecular formula
- C12H6N4O9S
- Average molar mass
- 382.26 g/mol
- Monoisotopic mass
- 381.98554896
Names & identifiers
- Preferred name
- Benzene, 1,1'-sulfinylbis[2,4-dinitro-
- IUPAC
- 1-(2,4-dinitrophenyl)sulfinyl-2,4-dinitrobenzene
Names & synonyms
Benzene, 1,1'-sulfinylbis[2,4-dinitro-52427-27-72,2',4,4'-TetranitrodiphenylsulfoxideDTXSID30347596LSKNYOCHCCPEJT-UHFFFAOYSA-NAKOS0032730281,1'-Sulfinylbis(2,4-dinitrobenzene)1-[(2,4-Dinitrophenyl)sulfinyl]-2,4-dinitrobenzene #
Database identifiers
- CAS
52427-27-7- PubChem CID
- 623449
- DTXSID
DTXSID30347596- Nikkaji
- J581.926A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 220 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 570
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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