ethyl-tri(pentadecyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: ethyl-tri(pentadecyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: ethyl-tri(pentadecyl)ammonium; 2-hydroxy-2-oxo-acetate CAS Name: ethyl-tri(pentadecyl)ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: ethyl-tri(pentadecyl)azanium; 2-hydroxy-2-oxoacetate Traditional Name: ethyl-tri(pentadecyl)ammonium binoxalate Formula: C49H99NO4 MolecularWeight: 766.31466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC[N+](CC)(CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCC[N+](CC)(CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C47H98N.C2H2O4/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48(8-4,46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)47-44-41-38-35-32-29-26-23-20-17-14-11-7-3;3-1(4)2(5)6/h5-47H2,1-4H3;(H,3,4)(H,5,6)/q+1;/p-1