Basic information
- CAS
80559-53-1- Standard SMILES
CCCC[N+](CCCC)(CCCC)CCCC.[O-]C(c1ccccc1I1OC(C(F)(F)F)(C(F)(F)F)c2ccccc21)(C(F)(F)F)C(F)(F)F- InChIKey
UUGPNNFCJTWAGP-UHFFFAOYSA-N- Molecular formula
- C34H44F12INO2
- Average molar mass
- 853.6 g/mol
- Monoisotopic mass
- 853.22252
Names & identifiers
- Preferred name
- 2-[2-[3,3-Bis(trifluoromethyl)-1lambda3,2-benziodoxol-1-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-olate;tetrabutylazanium
- IUPAC
- 2-[2-[3,3-bis(trifluoromethyl)-1λ3,2-benziodoxol-1-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-olate;tetrabutylazanium
Names & synonyms
80559-53-1NSC366247DTXSID60331100NSC-3662471-Butanaminium, N,N,N-tributyl-, salt with 2-[3,3-bis(trifluoromethyl)-1,2-benziodoxol-1(3H)-yl]-.alpha.,.alpha.-bis(trifluoromethyl)benzenemethanol (1:1)N,N,N-Tributyl-1-butanaminium 2-{2-[3,3-bis(trifluoromethyl)-1I>>3,2-benziodoxol-1(3H)-yl]phenyl}-1,1,1,3,3,3-hexafluoro-2-propanolateN,N,N-Tributylbutan-1-aminium 2-{2-[3,3-bis(trifluoromethyl)-1lambda~3~,2-benziodoxol-1(3H)-yl]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-olate
Database identifiers
- CAS
80559-53-1- PubChem CID
- 435246
- DTXSID
DTXSID60331100
Properties
Computed structural properties
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 14
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 801
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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