Basic information
- Standard SMILES
CC(c1cccc([N+](=O)[O-])c1)S(=O)(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC- InChIKey
MQDGCJIDRFKZNF-UHFFFAOYSA-M- Molecular formula
- C24H44N2O5S
- Average molar mass
- 472.7 g/mol
Names & identifiers
- Preferred name
- Tetra-n-butylammonium 1-(3-nitrophenyl)ethanesulphonate
- IUPAC
- 1-(3-nitrophenyl)ethanesulfonate;tetrabutylazanium
Names & synonyms
SCHEMBL8860033MQDGCJIDRFKZNF-UHFFFAOYSA-Mtetra-n-butylammonium 1-(3-nitrophenyl)ethanesulphonate
Database identifiers
- PubChem CID
- 22917835
Properties
Computed structural properties
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 431
Related reactions
2 records
Compound notes
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