2-[3,5-bis(chloranyl)-6-fluoranyl-pyridin-2-yl]oxyethanoate; butylazanium

Systemtic Name: 2-[3,5-bis(chloranyl)-6-fluoranyl-pyridin-2-yl]oxyethanoate; butylazanium Openeye Name: butylammonium; 2-[(3,5-dichloro-6-fluoro-2-pyridyl)oxy]acetate CAS Name: butylammonium; 2-[(3,5-dichloro-6-fluoro-2-pyridinyl)oxy]acetate IUPAC Name: butylazanium; 2-(3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate Traditional Name: butylammonium; 2-[(3,5-dichloro-6-fluoro-2-pyridyl)oxy]acetate Formula: C11H15Cl2FN2O3 MolecularWeight: 313.152803

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH3+].C1=C(C(=NC(=C1Cl)F)OCC(=O)[O-])Cl

Isomeric SMILES

CCCC[NH3+].C1=C(C(=NC(=C1Cl)F)OCC(=O)[O-])Cl

InChI

InChI=1S/C7H4Cl2FNO3.C4H11N/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13;1-2-3-4-5/h1H,2H2,(H,12,13);2-5H2,1H3