Basic information
- Standard SMILES
CCOC(=O)[C@H](Cc1ccc(CCOc2ccc(OS(C)(=O)=O)cc2)cc1)OCC- InChIKey
QNFWIGZQUIEPNP-NRFANRHFSA-N- Molecular formula
- C22H28O7S
- Average molar mass
- 436.5 g/mol
- Monoisotopic mass
- 436.1555744
Names & identifiers
- Preferred name
- ethyl(2S)-2-ethoxy-3-[4-(2-[4-[(methylsulfonyl)oxy]phenoxy}ethyl)phenyl]propanoate
- IUPAC
- ethyl (2S)-2-ethoxy-3-[4-[2-(4-methylsulfonyloxyphenoxy)ethyl]phenyl]propanoate
Names & synonyms
ethyl(2S)-2-ethoxy-3-[4-(2-[4-[(methylsulfonyl)oxy]phenoxy}ethyl)phenyl]propanoateethyl(2S)-2-ethoxy-3-[4-(2-{4-[(methylsulfonyl)oxy]phenoxy}ethyl)phenyl]propanoateSCHEMBL5365635QNFWIGZQUIEPNP-NRFANRHFSA-NEthyl(2S)-2-ethoxy-3-[4-(2-{4-[(methylsulfonyl)oxy]phenoxy}ethyl)phenyl]-propanoate
Database identifiers
- PubChem CID
- 86607017
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 585
Related reactions
2 records
Compound notes
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