Basic information
- CAS
72796-88-4- Standard SMILES
CC[N+](C)(CC)CCOC12C=CC=CC1(c1ccc(-c3ccc(C45C=CC=CC4(OCC[N+](C)(CC)CC)C=C5)cc3)cc1)C=C2.COS(=O)(=O)[O-]- InChIKey
KZUDMOOKIUOVCC-UHFFFAOYSA-M- Molecular formula
- C43H57N2O6S+
- Average molar mass
- 730 g/mol
- Monoisotopic mass
- 729.39373372
Names & identifiers
- Preferred name
- (2,2'-((1,1'-Biphenyl)-4,4'-diylbis(ethylenephenyleneoxy))diethyl)bis(diethylmethylammonium) dimethyl bis(sulphate)
- IUPAC
- 2-[[6-[4-[4-[6-[2-[diethyl(methyl)azaniumyl]ethoxy]-1-bicyclo[4.2.0]octa-2,4,7-trienyl]phenyl]phenyl]-1-bicyclo[4.2.0]octa-2,4,7-trienyl]oxy]ethyl-diethyl-methylazanium;methyl sulfate
Names & synonyms
KZUDMOOKIUOVCC-UHFFFAOYSA-M(2,2'-((1,1'-Biphenyl)-4,4'-diylbis(ethylenephenyleneoxy))diethyl)bis(diethylmethylammonium) dimethyl bis(sulphate)
Database identifiers
- CAS
72796-88-4- PubChem CID
- 175162
Properties
Computed structural properties
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 52
- Formal charge
- 1
- Complexity
- 1,230
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…