Basic information
- Standard SMILES
O=C([O-])c1ccc(NCCCCCCCCCCCCCCCC(F)(F)F)cc1.[Na+]- InChIKey
VZKOQPXJCCOUJJ-UHFFFAOYSA-M- Molecular formula
- C23H35F3NNaO2
- Average molar mass
- 437.5 g/mol
Names & identifiers
- Preferred name
- Sodium 4-[15-(trifluoromethyl)pentadecylamino]benzoate
- IUPAC
- sodium 4-(16,16,16-trifluorohexadecylamino)benzoate
Names & synonyms
sodium 4-[15-(trifluoromethyl)pentadecylamino]benzoateCHEMBL33011SCHEMBL11260975
Database identifiers
- PubChem CID
- 23671968
- ChEMBL
CHEMBL33011
Properties
Computed structural properties
- Topological polar surface area
- 52.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 17
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 414
Related reactions
4 records
Compound notes
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