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LS-16893,(Diethyliminiobis(((ethylenecarbonyl)oxy)ethylene))bis(trieth

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摘 要:LS-16893,(Diethyliminiobis(((ethylenecarbonyl)oxy)ethylene))bis(triethylammonium) triiodide,Ammonium, bis(2-carboxyethyl)diethyl-, iodide, diester with (2-hydroxyethyl)triethylammonium iodide,AMMONIUM, BIS(2-CARBOXYETHYL)DIETHYL-, IODIDE, DIESTER wit
[Synonyms]
LS-16893
(Diethyliminiobis(((ethylenecarbonyl)oxy)ethylene))bis(triethylammonium) triiodide
Ammonium, bis(2-carboxyethyl)diethyl-, iodide, diester with (2-hydroxyethyl)triethylammonium iodide
AMMONIUM, BIS(2-CARBOXYETHYL)DIETHYL-, IODIDE, DIESTER with (2-HYDROXYETHYL)TRIE
17089-56-4

[Structure]
LS-16893,(Diethyliminiobis(((ethylenecarbonyl)oxy)ethylene))bis(trieth

[ Properties Computed from Structure]
Molecular Weight855.45395 [g/mol]
Molecular FormulaC26H56I3N3O4
H-Bond Donor0
H-Bond Acceptor7
Rotatable Bond Count22
Exact Mass855.140486
MonoIsotopic Mass855.140486
Topological Polar Surface Area52.6
Heavy Atom Count36
Formal Charge0
Complexity481
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count4

[ Descriptors Computed from Structure]
IUPAC Name: diethyl-bis[3-oxo-3-(2-triethylazaniumylethoxy)propyl]azanium triiodide
Canonical SMILES: CC[N+](CC)(CC)CCOC(=O)CC[N+](CC)(CC)CCC(=O)OCC[N+](CC)(CC)CC.[I-].[I-].
[I-]
InChI: InChI=1/C26H56N3O4.3HI/c1-9-27(10-2,11-3)21-23-32-25(30)17-19-29(15-7,
16-8)20-18-26(31)33-24-22-28(12-4,13-5)14-6;;;/h9-24H2,
1-8H3;3*1H/q+3;;;/p-3/fC26H56N3O4.3I/h;3*1h/qm;3*-1

 
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