Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(/C(=N\OC2CCCCC2)C(=O)O)cc1Cl- InChIKey
JPSNOAJJVOCLIM-SAPNQHFASA-N- Molecular formula
- C15H18ClNO5S
- Average molar mass
- 359.8 g/mol
- Monoisotopic mass
- 359.0594215
Names & identifiers
- Preferred name
- (2E)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclohexyloxyiminoacetic acid
- IUPAC
- (2E)-2-(3-chloro-4-methylsulfonylphenyl)-2-cyclohexyloxyiminoacetic acid
Names & synonyms
SCHEMBL2643371
Database identifiers
- PubChem CID
- 87416752
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 551
Related reactions
5 records
Compound notes
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