Compound C29H44Cl3NO2

2-[2-[2-chloro-4,6-di(pentan-3-yl)phenoxy]ethoxy]ethyl-[(4-chlorophenyl)methyl]-dimethylazanium chloride

CAS: 66902-76-9

Molecular Formula	`C29H44Cl3NO2`
Molecular Weight	545.0 g/mol
Topological Polar Surface Area	18.5 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	3
Rotatable Bonds	15
Exact Mass	543.2438
Heavy Atoms	35
Complexity	530.0

Chemical Identifiers

CAS Number	66902-76-9
SMILES	`CCC(CC)C1=CC(=C(C(=C1)Cl)OCCOCC[N+](C)(C)CC2=CC=C(C=C2)Cl)C(CC)CC.[Cl-]`
InChIKey	`IIUJHNCIGNJERC-UHFFFAOYSA-M`

📖 Product Overview

Compound C29H44Cl3NO2 (CAS: 66902-76-9) is a chemical compound with molecular formula C29H44Cl3NO2 and molecular weight 545.0 g/mol. Its IUPAC systematic name is 2-[2-[2-chloro-4,6-di(pentan-3-yl)phenoxy]ethoxy]ethyl-[(4-chlorophenyl)methyl]-dimethylazanium chloride. Topological Polar Surface Area 18.5 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 3 Rotatable Bonds 15 Exact Mass 543.2438 Heavy Atoms 35 Complexity 530.0 InChI Key: IIUJHNCIGNJERC-UHFFFAOYSA-M. SMILES: CCC(CC)C1=CC(=C(C(=C1)Cl)OCCOCC[N+](C)(C)CC2=CC=C(C=C2)Cl)C(CC)CC.[Cl-].

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