Basic information
- Standard SMILES
CCOC(=O)C(OC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1- InChIKey
OYFBWMUCQZXLRU-UHFFFAOYSA-N- Molecular formula
- C18H24O6S
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.12935965
Names & identifiers
- Preferred name
- (4-Cyclopropanesulfonyl-phenyl)-[(tetrahydro-pyran-4-yloxy)]-acetic acid ethyl ester
- IUPAC
- ethyl 2-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yloxy)acetate
Names & synonyms
SCHEMBL184921OYFBWMUCQZXLRU-UHFFFAOYSA-N(4-cyclopropanesulfonyl-phenyl)-[(tetrahydro-pyran-4-yloxy)]-acetic acid ethyl ester2-[4-(Cyclopropanesulfonyl)phenyl]-2-(tetrahydro-pyran-4-yloxy)acetic acid ethyl ester
Database identifiers
- PubChem CID
- 59610050
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 536
Related reactions
6 records
Compound notes
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