3-(butan-2-yloxymethyl)-1H-benzimidazol-3-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 3-(butan-2-yloxymethyl)-1H-benzimidazol-3-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 3-(sec-butoxymethyl)-1H-benzimidazol-3-ium CAS Name: 3-(butan-2-yloxymethyl)-1H-benzimidazol-3-ium; 2-hydroxy-2-oxoacetate IUPAC Name: 3-(butan-2-yloxymethyl)-1H-benzimidazol-3-ium; 2-hydroxy-2-oxoacetate Traditional Name: 3-(sec-butoxymethyl)-1H-benzimidazol-3-ium binoxalate Formula: C14H18N2O5 MolecularWeight: 294.30312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC[N+]1=CNC2=CC=CC=C21.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCC(C)OC[N+]1=CNC2=CC=CC=C21.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C12H16N2O.C2H2O4/c1-3-10(2)15-9-14-8-13-11-6-4-5-7-12(11)14;3-1(4)2(5)6/h4-8,10H,3,9H2,1-2H3;(H,3,4)(H,5,6)