Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OCC(O)(COS(=O)(=O)c2ccc(C)cc2)C(F)(F)F)cc1- InChIKey
WQMAUZSEYGFKPV-UHFFFAOYSA-N- Molecular formula
- C18H19F3O7S2
- Average molar mass
- 468.5 g/mol
Names & identifiers
- Preferred name
- 3,3,3-Trifluoro-2-hydroxy-2-({[(4-methylphenyl)sulfonyl]oxy}methyl)propyl 4-methylbenzenesulfonate
- IUPAC
- [3,3,3-trifluoro-2-hydroxy-2-[(4-methylphenyl)sulfonyloxymethyl]propyl] 4-methylbenzenesulfonate
Names & synonyms
3,3,3-Trifluoro-2-hydroxy-2-({[(4-methylphenyl)sulfonyl]oxy}methyl)propyl 4-methylbenzenesulfonateSCHEMBL4767693,3,3-trifluoro-2-hydroxy-2-({[(4-methyl phenyl) sulfonyl]oxy}methyl)propyl 4-methylbenzenesulfonate3,3,3-Trifluoro-2-hydroxy-2-({[(4-methylphenyl) sulfonyl]oxy}methyl)propyl 4-methylbenzenesulfonate
Database identifiers
- PubChem CID
- 24809782
- Nikkaji
- J2.619.777E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 697
Related reactions
6 records
Compound notes
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