2,2,2-Trichloroethyl 2-octadeca-6,9,12-trienoylbenzoate
Basic information
- Standard SMILES
CCCCCC=CCC=CCC=CCCCCC(=O)c1ccccc1C(=O)OCC(Cl)(Cl)Cl- InChIKey
YVDPABCKIOIKSE-UHFFFAOYSA-N- Molecular formula
- C27H35Cl3O3
- Average molar mass
- 513.9 g/mol
- Monoisotopic mass
- 512.165178
Names & identifiers
- Preferred name
- 2,2,2-Trichloroethyl 2-octadeca-6,9,12-trienoylbenzoate
- IUPAC
- 2,2,2-trichloroethyl 2-octadeca-6,9,12-trienoylbenzoate
Database identifiers
- PubChem CID
- 54529006
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 635
Related reactions
1 records
Compound notes
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