tridecylazanium; 2-[2,4,5-tris(chloranyl)phenoxy]ethanoate

Systemtic Name: tridecylazanium; 2-[2,4,5-tris(chloranyl)phenoxy]ethanoate Openeye Name: 2-(2,4,5-trichlorophenoxy)acetate; tridecylammonium CAS Name: 2-(2,4,5-trichlorophenoxy)acetate; tridecylammonium IUPAC Name: 2-(2,4,5-trichlorophenoxy)acetate; tridecylazanium Traditional Name: 2-(2,4,5-trichlorophenoxy)acetate; tridecylammonium Formula: C21H34Cl3NO3 MolecularWeight: 454.85856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC[NH3+].C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC[NH3+].C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)[O-]

InChI

InChI=1S/C13H29N.C8H5Cl3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h2-14H2,1H3;1-2H,3H2,(H,12,13)