Basic information
- Standard SMILES
CCC(O)(C=Cc1ccc(C(CC)(CC)c2cc(C)c(OS(=O)(=O)C(F)(F)F)c(C)c2)cc1C)CC- InChIKey
XLRVWDDLQJMWGV-UHFFFAOYSA-N- Molecular formula
- C28H37F3O4S
- Average molar mass
- 526.7 g/mol
- Monoisotopic mass
- 526.23646532
Names & identifiers
- Preferred name
- [4-[3-[4-(3-Ethyl-3-hydroxypent-1-enyl)-3-methylphenyl]pentan-3-yl]-2,6-dimethylphenyl] trifluoromethanesulfonate
- IUPAC
- [4-[3-[4-(3-ethyl-3-hydroxypent-1-enyl)-3-methylphenyl]pentan-3-yl]-2,6-dimethylphenyl] trifluoromethanesulfonate
Names & synonyms
SCHEMBL1525253
Database identifiers
- PubChem CID
- 76545461
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 72 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 813
Related reactions
1 records
Compound notes
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