Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenylene))bis(1-ethyl-, di-p-toluenesulfonate
Basic information
- CAS
14101-73-6- Standard SMILES
CC[n+]1ccc(-c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(-c5cc[n+](CC)cc5)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
IQIIRUQHJAGXKM-UHFFFAOYSA-N- Molecular formula
- C48H46N4O8S2
- Average molar mass
- 871 g/mol
- Monoisotopic mass
- 870.27570679
Names & identifiers
- Preferred name
- Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenylene))bis(1-ethyl-, di-p-toluenesulfonate
- IUPAC
- 1-N,4-N-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)
Names & synonyms
Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenylene))bis(1-ethyl-, di-p-toluenesulfonateRefChem:109745414101-73-6NSC 1030574,4'-(Terephthaloylbis(imino-p-phenylene))bis(1-ethylpyridinium) di-p-toluenesulfonatePyridinium, 4,4'-(1,4-phenylenebis(carbonylimino-4,1-phenylene))bis(1-ethyl-, salt with 4-methylbenzenesulfonic acid (1:2)
Database identifiers
- CAS
14101-73-6- PubChem CID
- 203255
Properties
Computed structural properties
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 907
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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