Basic information
- Standard SMILES
Cc1cc(OCCCO)cc(OS(=O)(=O)c2ccccc2C#N)c1.Cl- InChIKey
FMOFIDKMLUNCLT-UHFFFAOYSA-N- Molecular formula
- C17H18ClNO5S
- Average molar mass
- 383.8 g/mol
Names & identifiers
- Preferred name
- 3-[3-(2-Cyanophenylsulfonyloxy)-5-methylphenoxy]propanol Hydrochloride
- IUPAC
- [3-(3-hydroxypropoxy)-5-methylphenyl] 2-cyanobenzenesulfonate;hydrochloride
Names & synonyms
SCHEMBL6926945FMOFIDKMLUNCLT-UHFFFAOYSA-N3-[3-(2-Cyanophenylsulfonyloxy)-5-methylphenoxy]propanol Hydrochloride
Database identifiers
- PubChem CID
- 18669705
Properties
Computed structural properties
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 535
Related reactions
2 records
Compound notes
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