Pyridinium, 1,1'-(4,4'-biphenylenebis(carbonylmethylene))bis(3-carboxy-, dibromide
Basic information
- CAS
24620-81-3- Standard SMILES
O=C(O)c1ccc[n+](CC(=O)c2ccc(-c3ccc(C(=O)C[n+]4cccc(C(=O)O)c4)cc3)cc2)c1.[Br-].[Br-]- InChIKey
NBRYYKUIDYUDAX-UHFFFAOYSA-N- Molecular formula
- C28H22Br2N2O6
- Average molar mass
- 642.3 g/mol
- Monoisotopic mass
- 639.98446
Names & identifiers
- Preferred name
- Pyridinium, 1,1'-(4,4'-biphenylenebis(carbonylmethylene))bis(3-carboxy-, dibromide
- IUPAC
- 1-[2-[4-[4-[2-(3-carboxypyridin-1-ium-1-yl)acetyl]phenyl]phenyl]-2-oxoethyl]pyridin-1-ium-3-carboxylic acid dibromide
Names & synonyms
24620-81-31,1'-(4,4'-Biphenylenebis(carbonylmethylene))bis(3-carboxypyridinium bromide)Pyridinium, 1,1'-(4,4'-biphenylenebis(carbonylmethylene))bis(3-carboxy-, dibromideRefChem:376930
Database identifiers
- CAS
24620-81-3- PubChem CID
- 212634
Properties
Computed structural properties
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 734
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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