Basic information
- Standard SMILES
O=S(=O)([O-])C(F)(F)F.O=[N+]([O-])c1ccc2c(c1)c1ccc([N+](=O)[O-])cc1[s+]2C(F)(F)F- InChIKey
GVDZRWPKDPLANK-UHFFFAOYSA-M- Molecular formula
- C14H6F6N2O7S2
- Average molar mass
- 492.3 g/mol
Names & identifiers
- Preferred name
- 2,7-dinitro-S-(trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate
- IUPAC
- 2,7-dinitro-5-(trifluoromethyl)dibenzothiophen-5-ium;trifluoromethanesulfonate
Names & synonyms
2,7-dinitro-S-(trifluoromethyl)dibenzothiophenium trifluoromethanesulfonateSCHEMBL9420028
Database identifiers
- PubChem CID
- 44630772
Properties
Computed structural properties
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 0
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 652
Related reactions
1 records
Compound notes
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