(2-bromophenyl)methyl-(4-chloranylbutyl)-ethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: (2-bromophenyl)methyl-(4-chloranylbutyl)-ethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: (2-bromophenyl)methyl-(4-chlorobutyl)-ethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: (2-bromophenyl)methyl-(4-chlorobutyl)-ethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: (2-bromophenyl)methyl-(4-chlorobutyl)-ethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: (2-bromobenzyl)-(4-chlorobutyl)-ethyl-ammonium binoxalate Formula: C15H21BrClNO4 MolecularWeight: 394.68854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCCCCl)CC1=CC=CC=C1Br.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC[NH+](CCCCCl)CC1=CC=CC=C1Br.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C13H19BrClN.C2H2O4/c1-2-16(10-6-5-9-15)11-12-7-3-4-8-13(12)14;3-1(4)2(5)6/h3-4,7-8H,2,5-6,9-11H2,1H3;(H,3,4)(H,5,6)