Basic information
- Standard SMILES
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CC=C3OS(=O)(=O)C(F)(F)F)cc1- InChIKey
RVIROUTUTLWJTK-UHFFFAOYSA-N- Molecular formula
- C24H21F3O5S
- Average molar mass
- 478.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-[(5-trifluoromethylsulfonyloxy-7,8-dihydro-8,8-dimethylnaphth-2-yl)ethynyl]benzoate
- IUPAC
- ethyl 4-[2-[8,8-dimethyl-5-(trifluoromethylsulfonyloxy)-7H-naphthalen-2-yl]ethynyl]benzoate
Names & synonyms
Ethyl 4-[(5-trifluoromethylsulfonyloxy-7,8-dihydro-8,8-dimethylnaphth-2-yl)ethynyl]benzoateSCHEMBL7637313
Database identifiers
- PubChem CID
- 18314575
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 925
Related reactions
21 records
Compound notes
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