Compound C28H44Cl3NO3

dimethyl(octadeca-9,12-dienyl)azanium;2-(2,4,5-trichlorophenoxy)acetate

CAS: 53404-88-9

Molecular Formula	`C28H44Cl3NO3`
Molecular Weight	549.0 g/mol
Topological Polar Surface Area	53.8 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	17
Exact Mass	547.23865
Heavy Atoms	35
Complexity	447.0

Chemical Identifiers

CAS Number	53404-88-9
SMILES	`CCCCCC=CCC=CCCCCCCCC[NH+](C)C.C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)[O-]`
InChIKey	`OVSJOZBHLQMYHF-UHFFFAOYSA-N`

📖 Product Overview

Compound C28H44Cl3NO3 (CAS: 53404-88-9) is a chemical compound with molecular formula C28H44Cl3NO3 and molecular weight 549.0 g/mol. Its IUPAC systematic name is dimethyl(octadeca-9,12-dienyl)azanium;2-(2,4,5-trichlorophenoxy)acetate. Topological Polar Surface Area 53.8 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 17 Exact Mass 547.23865 Heavy Atoms 35 Complexity 447.0 InChI Key: OVSJOZBHLQMYHF-UHFFFAOYSA-N. SMILES: CCCCCC=CCC=CCCCCCCCC[NH+](C)C.C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)[O-].

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