(4-ethylphenyl)methyl-(furan-2-ylmethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: (4-ethylphenyl)methyl-(furan-2-ylmethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: (4-ethylphenyl)methyl-(2-furylmethyl)ammonium; 2-hydroxy-2-oxo-acetate CAS Name: (4-ethylphenyl)methyl-(2-furanylmethyl)ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: (4-ethylphenyl)methyl-(furan-2-ylmethyl)azanium; 2-hydroxy-2-oxoacetate Traditional Name: (4-ethylbenzyl)-(2-furfuryl)ammonium binoxalate Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH2+]CC2=CC=CO2.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH2+]CC2=CC=CO2.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C14H17NO.C2H2O4/c1-2-12-5-7-13(8-6-12)10-15-11-14-4-3-9-16-14;3-1(4)2(5)6/h3-9,15H,2,10-11H2,1H3;(H,3,4)(H,5,6)