Ammonium, ((1,2-diethylethylene)di-p-phenylene)bis(trimethyl-, dibenzenesulfonate

Substructure search Find similar structures

Basic information

CAS: 24397-06-6
Standard SMILES: CCC(c1ccc([N+](C)(C)C)cc1)C(CC)c1ccc([N+](C)(C)C)cc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1
InChIKey: PTMQBNVKPNRIIF-UHFFFAOYSA-L
Molecular formula: C36H48N2O6S2
Average molar mass: 668.9 g/mol
Monoisotopic mass: 668.2953796

Names & identifiers

Preferred name: Ammonium, ((1,2-diethylethylene)di-p-phenylene)bis(trimethyl-, dibenzenesulfonate
IUPAC: benzenesulfonate;trimethyl-[4-[4-[4-(trimethylazaniumyl)phenyl]hexan-3-yl]phenyl]azanium

Names & synonyms

24397-06-6Ammonium, ((1,2-diethylethylene)di-p-phenylene)bis(trimethyl-, dibenzenesulfonateRefChem:1076678((1,2-Diethylethylene)di-p-phenylene)bis(trimethylammonium), dibenzenesulfonateIEM 584Dibenzosulphomethylate-p,p'-bis-dimethylamino-meso-3,4-diphenylhexaneDTXSID409472684,4'-(Hexane-3,4-diyl)bis(N,N,N-trimethylanilinium) bisbenzenesulfonate

Database identifiers

CAS: 24397-06-6
PubChem CID: 32357
DTXSID: DTXSID40947268

Properties

Computed structural properties

Topological polar surface area: 131 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 46
Formal charge: 0
Complexity: 531

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…