Basic information
- Standard SMILES
CC[NH+](CC)CC.O=C1C2CC3CC1CC(C(=O)OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])(C3)C2- InChIKey
SQFJVATUMUAACH-UHFFFAOYSA-N- Molecular formula
- C20H30F5NO6S
- Average molar mass
- 507.5 g/mol
Names & identifiers
- Preferred name
- Triethylammonium 1,1,3,3,3-pentafluoro-2-(4-oxoadamantane-1-carbonyloxy)-1-propanesulfonate
- IUPAC
- 1,1,3,3,3-pentafluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate;triethylazanium
Names & synonyms
triethylammonium 1,1,3,3,3-pentafluoro-2-(4-oxoadamantane-1-carbonyloxy)-1-propanesulfonate
Database identifiers
- PubChem CID
- 86664296
Properties
Computed structural properties
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 734
Related reactions
1 records
Compound notes
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