Basic information
- Standard SMILES
O=C(O)c1ccc(Oc2cccc(Oc3ccc(S(=O)(=O)C(F)(F)F)cc3)c2)cc1- InChIKey
WAFAMMJKOMRAGL-UHFFFAOYSA-N- Molecular formula
- C20H13F3O6S
- Average molar mass
- 438.4 g/mol
Names & identifiers
- Preferred name
- 4-[3-(4-Trifluoromethanesulfonyl-phenoxy)-phenoxy]-benzoic acid
- IUPAC
- 4-[3-[4-(trifluoromethylsulfonyl)phenoxy]phenoxy]benzoic acid
Names & synonyms
4-[3-(4-trifluoromethanesulfonyl-phenoxy)-phenoxy]-benzoic acidSCHEMBL6000396
Database identifiers
- PubChem CID
- 9845963
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 674
Related reactions
2 records
Compound notes
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