Basic information
- CAS
6278-65-5- Standard SMILES
O=S(=O)(OCCCCCCCOS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1- InChIKey
WBDWTRPYUQKXBD-UHFFFAOYSA-N- Molecular formula
- C19H22F2O6S2
- Average molar mass
- 448.5 g/mol
- Monoisotopic mass
- 448.08258709
Names & identifiers
- Preferred name
- Heptane-1,7-diyl bis(4-fluorobenzenesulfonate)
- IUPAC
- 7-(4-fluorophenyl)sulfonyloxyheptyl 4-fluorobenzenesulfonate
Names & synonyms
6278-65-5heptane-1,7-diyl bis(4-fluorobenzenesulfonate)NSC34423DTXSID20283939NSC-34423DS-0084891,7-bis[(4-fluorophenyl)sulfonyloxy]heptaneHeptane-1,7-diyl bis(4-fluorobenzene-1-sulfonate)
Database identifiers
- CAS
6278-65-5- PubChem CID
- 234459
- DTXSID
DTXSID20283939
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 598
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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