Basic information
- CAS
36439-68-6- Standard SMILES
Cc1ccc(S(=O)(=O)OCC2C3CCC(C4CCC43)C2COS(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
HMUYQGWIHJJHOL-UHFFFAOYSA-N- Molecular formula
- C26H32O6S2
- Average molar mass
- 504.7 g/mol
- Monoisotopic mass
- 504.16403108
Names & identifiers
- Preferred name
- (Tricyclo[4.2.2.0~2,5~]decane-7,8-diyl)bis(methylene) bis(4-methylbenzene-1-sulfonate)
- IUPAC
- [8-[(4-methylphenyl)sulfonyloxymethyl]-7-tricyclo[4.2.2.02,5]decanyl]methyl 4-methylbenzenesulfonate
Names & synonyms
36439-68-6(Tricyclo[4.2.2.0~2,5~]decane-7,8-diyl)bis(methylene) bis(4-methylbenzene-1-sulfonate)NSC173762DTXSID50306044NSC-173762
Database identifiers
- CAS
36439-68-6- PubChem CID
- 299902
- DTXSID
DTXSID50306044
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 828
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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