Basic information
- Standard SMILES
CC(=O)O[C@@H](C=Cc1ccccc1)C(F)(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1- InChIKey
JHWVDFAQDYTALT-QHCPKHFHSA-N- Molecular formula
- C24H21FO6S2
- Average molar mass
- 488.6 g/mol
Names & identifiers
- Preferred name
- (3S)-3-acetoxy-4-fluoro-1-phenyl-4,4-bis(phenylsulfonyl)-1-but ene
- IUPAC
- [(2S)-1,1-bis(benzenesulfonyl)-1-fluoro-4-phenylbut-3-en-2-yl] acetate
Names & synonyms
JHWVDFAQDYTALT-QHCPKHFHSA-N(3S)-3-acetoxy-4-fluoro-1-phenyl-4,4-bis(phenylsulfonyl)-1-but ene
Database identifiers
- PubChem CID
- 86660711
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 834
Related reactions
1 records
Compound notes
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