Basic information
- CAS
5433-21-6- Standard SMILES
Cc1ccc(S(=O)(=O)O[C@@H]2CCCC[C@H]2OS(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
MDNOTLODSMKMDL-WOJBJXKFSA-N- Molecular formula
- C20H24O6S2
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.10143083
Names & identifiers
- Preferred name
- (1r,2r)-Cyclohexane-1,2-diyl bis(4-methylbenzenesulfonate)
- IUPAC
- [(1R,2R)-2-(4-methylphenyl)sulfonyloxycyclohexyl] 4-methylbenzenesulfonate
Names & synonyms
(1r,2r)-cyclohexane-1,2-diyl bis(4-methylbenzenesulfonate)5433-21-6Trans-cyclohexane-1,2-diyl bis(4-methylbenzenesulfonate)1356398-48-5SCHEMBL8744474DTXSID60279674NSC13682NSC-13682(1R,2R)-Cyclohexane-1,2-diyl bis(4-methylbenzene-1-sulfonate)(1R,2R)-2-{[(4-methylphenyl)sulfonyl]oxy}cyclohexyl 4-methylbenzenesulfonate
Database identifiers
- CAS
5433-21-6- PubChem CID
- 224852
- DTXSID
DTXSID60279674
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 628
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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