Basic information
- Standard SMILES
Cc1cc(OCCCCCC#N)cc(OS(=O)(=O)c2ccccc2Cl)c1- InChIKey
LHIUOAKXJLHQOR-UHFFFAOYSA-N- Molecular formula
- C19H20ClNO4S
- Average molar mass
- 393.9 g/mol
Names & identifiers
- Preferred name
- 2-Chlorobenzenesulfonic acid 3-[5-cyanopentyloxy]-5-methylphenyl ester
- IUPAC
- [3-(5-cyanopentoxy)-5-methylphenyl] 2-chlorobenzenesulfonate
Names & synonyms
SCHEMBL6553417LHIUOAKXJLHQOR-UHFFFAOYSA-N2-Chlorobenzenesulfonic acid 3-[5-cyanopentyloxy]-5-methylphenyl ester
Database identifiers
- PubChem CID
- 54033602
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 568
Related reactions
5 records
Compound notes
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