2-[2,4-bis(chloranyl)phenoxy]ethanoate; triethyl-(phenylmethyl)azanium

Systemtic Name: 2-[2,4-bis(chloranyl)phenoxy]ethanoate; triethyl-(phenylmethyl)azanium Openeye Name: benzyl(triethyl)ammonium; 2-(2,4-dichlorophenoxy)acetate CAS Name: 2-(2,4-dichlorophenoxy)acetate; triethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(triethyl)azanium; 2-(2,4-dichlorophenoxy)acetate Traditional Name: benzyl(triethyl)ammonium; 2-(2,4-dichlorophenoxy)acetate Formula: C21H27Cl2NO3 MolecularWeight: 412.34998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CC1=CC=CC=C1.C1=CC(=C(C=C1Cl)Cl)OCC(=O)[O-]

Isomeric SMILES

CC[N+](CC)(CC)CC1=CC=CC=C1.C1=CC(=C(C=C1Cl)Cl)OCC(=O)[O-]

InChI

InChI=1S/C13H22N.C8H6Cl2O3/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;9-5-1-2-7(6(10)3-5)13-4-8(11)12/h7-11H,4-6,12H2,1-3H3;1-3H,4H2,(H,11,12)/q+1;/p-1