Basic information
- Standard SMILES
COC(=O)c1ccccc1-c1ccc(COS(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
BCXOUTQNHCMBAR-UHFFFAOYSA-N- Molecular formula
- C22H20O5S
- Average molar mass
- 396.5 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(4'-p-toluenesulfonyloxymethylphenyl)benzoate
- IUPAC
- methyl 2-[4-[(4-methylphenyl)sulfonyloxymethyl]phenyl]benzoate
Names & synonyms
methyl 2-(4'-p-toluenesulfonyloxymethylphenyl)benzoatemethyl 2-[4'-p-toluenesulfonyloxymethylphenyl)benzoateSCHEMBL8872298BCXOUTQNHCMBAR-UHFFFAOYSA-NMethyl 2-(4'-p-toluene-sulfonyloxymethylphenyl)benzoate
Database identifiers
- PubChem CID
- 15380883
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 595
Related reactions
7 records
Compound notes
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