Basic information
- CAS
28003-39-6- Standard SMILES
C[N+](C)(CC(=O)c1ccc(C(=O)C[N+](C)(C)CC2CCCCC2OC(=O)c2ccccc2)cc1)CC1CCCCC1OC(=O)c1ccccc1.[Br-].[Br-]- InChIKey
JCHYTYQXSITIFH-UHFFFAOYSA-L- Molecular formula
- C42H54Br2N2O6
- Average molar mass
- 842.7 g/mol
- Monoisotopic mass
- 840.23486
Names & identifiers
- Preferred name
- Ammonium, (terephthaloyldimethylene)bis(((2-hydroxycyclohexyl)methyl)dimethyl-, dibromide, dibenzoate
- IUPAC
- (2-benzoyloxycyclohexyl)methyl-[2-[4-[2-[(2-benzoyloxycyclohexyl)methyl-dimethylazaniumyl]acetyl]phenyl]-2-oxoethyl]-dimethylazanium dibromide
Names & synonyms
28003-39-6Ammonium, (terephthaloyldimethylene)bis(((2-hydroxycyclohexyl)methyl)dimethyl-, dibromide, dibenzoateRefChem:319127DTXSID709506892,2'-(1,4-Phenylene)bis(N-{[2-(benzoyloxy)cyclohexyl]methyl}-N,N-dimethyl-2-oxoethan-1-aminium) dibromide
Database identifiers
- CAS
28003-39-6- PubChem CID
- 34103
- DTXSID
DTXSID70950689
Properties
Computed structural properties
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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