Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OCCCCCc2ccccc2)cc1- InChIKey
UAGOWUOEBXHKJZ-UHFFFAOYSA-N- Molecular formula
- C18H22O3S
- Average molar mass
- 318.4 g/mol
Names & identifiers
- Preferred name
- 5-Phenylpentyl p-toluenesulfonate
- IUPAC
- 5-phenylpentyl 4-methylbenzenesulfonate
Names & synonyms
SCHEMBL65862845-phenylpentyl p-toluenesulfonateUAGOWUOEBXHKJZ-UHFFFAOYSA-NToluen-4-sulphonic acid 5-phenyl-pentyl ester
Database identifiers
- PubChem CID
- 15249503
- Nikkaji
- J1.912.549A
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 385
Related reactions
2 records
Compound notes
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