(2-bromophenyl)methyl-ethyl-(3-iodanylpropyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: (2-bromophenyl)methyl-ethyl-(3-iodanylpropyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: (2-bromophenyl)methyl-ethyl-(3-iodopropyl)ammonium; 2-hydroxy-2-oxo-acetate CAS Name: (2-bromophenyl)methyl-ethyl-(3-iodopropyl)ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: (2-bromophenyl)methyl-ethyl-(3-iodopropyl)azanium; 2-hydroxy-2-oxoacetate Traditional Name: (2-bromobenzyl)-ethyl-(3-iodopropyl)ammonium binoxalate Formula: C14H19BrINO4 MolecularWeight: 472.11343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrIN.C2H2O4/c1-2-15(9-5-8-14)10-11-6-3-4-7-12(11)13;3-1(4)2(5)6/h3-4,6-7H,2,5,8-10H2,1H3;(H,3,4)(H,5,6)