6-chloranylhexyl-[2-(2,6-dimethylphenoxy)ethyl]-ethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 6-chloranylhexyl-[2-(2,6-dimethylphenoxy)ethyl]-ethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 6-chlorohexyl-[2-(2,6-dimethylphenoxy)ethyl]-ethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 6-chlorohexyl-[2-(2,6-dimethylphenoxy)ethyl]-ethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 6-chlorohexyl-[2-(2,6-dimethylphenoxy)ethyl]-ethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: 6-chlorohexyl-[2-(2,6-dimethylphenoxy)ethyl]-ethyl-ammonium binoxalate Formula: C20H32ClNO5 MolecularWeight: 401.92478

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCCCCCCl)CCOC1=C(C=CC=C1C)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC[NH+](CCCCCCCl)CCOC1=C(C=CC=C1C)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H30ClNO.C2H2O4/c1-4-20(13-8-6-5-7-12-19)14-15-21-18-16(2)10-9-11-17(18)3;3-1(4)2(5)6/h9-11H,4-8,12-15H2,1-3H3;(H,3,4)(H,5,6)