Basic information
- CAS
18520-56-4- Standard SMILES
C[n+]1ccc(-c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(-c5cc[n+](C)cc5)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
XQSPIEJJYZGUTM-UHFFFAOYSA-N- Molecular formula
- C46H42N4O8S2
- Average molar mass
- 843 g/mol
- Monoisotopic mass
- 842.24440666
Names & identifiers
- Preferred name
- Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenylene))bis(1-methyl-, di-p-toluenesulfonate
- IUPAC
- 1-N,4-N-bis[4-(1-methylpyridin-1-ium-4-yl)phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)
Names & synonyms
Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenylene))bis(1-methyl-, di-p-toluenesulfonate4,4'-(Terephthaloylbis(imino-p-phenylene))bis(1-methylpyridinium)di-p-toluenesulfonate18520-56-4DTXSID10171750RefChem:377221DTXCID40942414,4'-[1,4-Phenylenebis(carbonylazanediyl-4,1-phenylene)]bis(1-methylpyridin-1-ium) bis(4-methylbenzene-1-sulfonate)
Database identifiers
- CAS
18520-56-4- PubChem CID
- 205758
- DTXSID
DTXSID10171750
Properties
Computed structural properties
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 878
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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