Basic information
- CAS
20706-80-3- Standard SMILES
Cc1ccc(S(=O)(=O)OCC(OS(=O)(=O)c2ccc(C)cc2)C(OS(=O)(=O)c2ccc(C)cc2)C(OS(=O)(=O)c2ccc(C)cc2)C(COS(=O)(=O)c2ccc(C)cc2)OS(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
LTWANKHDLPUTEW-UHFFFAOYSA-N- Molecular formula
- C48H50O18S6
- Average molar mass
- 1,107.3 g/mol
- Monoisotopic mass
- 1,106.1321418
Names & identifiers
- Preferred name
- 2,3,4,5,6-Pentakis-(4-methylphenyl)sulfonyloxyhexyl 4-methylbenzenesulfonate
- IUPAC
- 2,3,4,5,6-pentakis-(4-methylphenyl)sulfonyloxyhexyl 4-methylbenzenesulfonate
Names & synonyms
20706-80-3NSC85623NSC-85623
Database identifiers
- CAS
20706-80-3- PubChem CID
- 257526
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 311 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 23
- Heavy atoms
- 72
- Formal charge
- 0
- Complexity
- 2,200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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