Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylene))bis(1-propyl-, di-p-toluenesulfonate
Basic information
- CAS
18520-54-2- Standard SMILES
CCC[n+]1cccc(-c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(-c5ccc[n+](CCC)c5)cc4)cc3)cc2)c1.Cc1ccc(S(=O)(=O)[O-])cc1.Cc1ccc(S(=O)(=O)[O-])cc1- InChIKey
HCSLMDXTLBSEPV-UHFFFAOYSA-N- Molecular formula
- C50H50N4O8S2
- Average molar mass
- 899.1 g/mol
- Monoisotopic mass
- 898.30700691
Names & identifiers
- Preferred name
- Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylene))bis(1-propyl-, di-p-toluenesulfonate
- IUPAC
- 1-N,4-N-bis[4-(1-propylpyridin-1-ium-3-yl)phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)
Names & synonyms
Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylene))bis(1-propyl-, di-p-toluenesulfonate3,3'-(Terephthaloylbis(imino-p-phenylene))bis(1-propylpyridinium) di-p-toluenesulfonate18520-54-2DTXSID001717493,3'-(Terephthaloyldiiminobis(p-phenylene))bis(1-propylpyridinium) di-p-toluenesulfonateRefChem:377157DTXCID90942403,3'-[1,4-Phenylenebis(carbonylazanediyl-4,1-phenylene)]bis(1-propylpyridin-1-ium) bis(4-methylbenzene-1-sulfonate)
Database identifiers
- CAS
18520-54-2- PubChem CID
- 205756
- DTXSID
DTXSID00171749
Properties
Computed structural properties
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 951
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Compound notes
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