Ethyl 2-{[3-(ethoxycarbonyl)phenyl]methanesulfonyl}benzoate
Basic information
- CAS
143427-41-2- Standard SMILES
CCOC(=O)c1cccc(CS(=O)(=O)c2ccccc2C(=O)OCC)c1- InChIKey
WPURPVYLFBBFGM-UHFFFAOYSA-N- Molecular formula
- C19H20O6S
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.09805953
Names & identifiers
- Preferred name
- Ethyl 2-{[3-(ethoxycarbonyl)phenyl]methanesulfonyl}benzoate
- IUPAC
- ethyl 2-[(3-ethoxycarbonylphenyl)methylsulfonyl]benzoate
Names & synonyms
143427-41-2Ethyl 2-{[3-(ethoxycarbonyl)phenyl]methanesulfonyl}benzoateDTXSID40576532
Database identifiers
- CAS
143427-41-2- PubChem CID
- 15664752
- DTXSID
DTXSID40576532
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 95.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 579
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Compound notes
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