Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C)cc1- InChIKey
SCFXKCQMEYPYCV-UHFFFAOYSA-N- Molecular formula
- C27H48O3S
- Average molar mass
- 452.7 g/mol
Names & identifiers
- Preferred name
- 3,7,11,15-Tetramethyl-1-hexadecanol 4-Methylbenzenesulfonate
- IUPAC
- 3,7,11,15-tetramethylhexadecyl 4-methylbenzenesulfonate
Names & synonyms
100566-23-23,7,11,15-Tetramethyl-1-hexadecanol 4-Methylbenzenesulfonatephytanyl tosylateSCHEMBL10725680SCFXKCQMEYPYCV-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 20186185
Properties
Computed structural properties
- XLogP
- 10.4
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 529
Related reactions
3 records
Compound notes
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