Basic information
- Standard SMILES
CCCCCCCC[n+]1sc(Cl)c(Cl)c1Cl.O=S(=O)([O-])C(F)(F)F- InChIKey
NQQLVOUTBRAWRO-UHFFFAOYSA-M- Molecular formula
- C12H17Cl3F3NO3S2
- Average molar mass
- 450.8 g/mol
Names & identifiers
- Preferred name
- 2-Octyl-3,4,5-trichloroisothiazolium trifluoromethane sulfonate
- IUPAC
- 3,4,5-trichloro-2-octyl-1,2-thiazol-2-ium;trifluoromethanesulfonate
Names & synonyms
2-Octyl-3,4,5-trichloroisothiazolium trifluoromethane sulfonateSCHEMBL10522380
Database identifiers
- PubChem CID
- 14535709
Properties
Computed structural properties
- Topological polar surface area
- 97.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 339
Related reactions
4 records
Compound notes
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