Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(Sc2cc(F)ccc2OCC(=O)O)c(Cl)c1.[H-].[Na+]- InChIKey
IFJDFJKTMKVQFM-UHFFFAOYSA-N- Molecular formula
- C15H13ClFNaO5S2
- Average molar mass
- 414.8 g/mol
Names & identifiers
- Preferred name
- (2-{[2-Chloro-4-(methylsulfonyl)phenyl]thio}-4-fluorophenoxy)acetic acid Sodium hydride
- IUPAC
- sodium;2-[2-(2-chloro-4-methylsulfonylphenyl)sulfanyl-4-fluorophenoxy]acetic acid;hydride
Names & synonyms
SCHEMBL2279873SCHEMBL2279876IFJDFJKTMKVQFM-UHFFFAOYSA-N(2-{[2-Chloro-4-(methylsulfonyl)phenyl]thio}-4-fluorophenoxy)acetic acid Sodium hydride
Database identifiers
- PubChem CID
- 67346100
Properties
Computed structural properties
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 538
Related reactions
1 records
Compound notes
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