Basic information
- Standard SMILES
CCOC(=O)C(OC1CCOC1)c1ccc(S(=O)(=O)C2CC2)cc1- InChIKey
AZUNGKHOSRZGOB-UHFFFAOYSA-N- Molecular formula
- C17H22O6S
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.11370959
Names & identifiers
- Preferred name
- (4-Cyclopropanesulfonyl-phenyl)-[(tetrahydro-furan-3-yloxy)]-acetic acid ethyl ester
- IUPAC
- ethyl 2-(4-cyclopropylsulfonylphenyl)-2-(oxolan-3-yloxy)acetate
Names & synonyms
SCHEMBL184977AZUNGKHOSRZGOB-UHFFFAOYSA-N(4-cyclopropanesulfonyl-phenyl)-[(tetrahydro-furan-3-yloxy)]-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 59610066
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 528
Related reactions
2 records
Compound notes
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