2-oxidanyl-2-oxidanylidene-ethanoate; 1-phenoxy-3-pyrrolidin-1-ium-1-yl-propan-2-ol

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; 1-phenoxy-3-pyrrolidin-1-ium-1-yl-propan-2-ol Openeye Name: 2-hydroxy-2-oxo-acetate; 1-phenoxy-3-pyrrolidin-1-ium-1-yl-propan-2-ol CAS Name: 2-hydroxy-2-oxoacetate; 1-phenoxy-3-(1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: 2-hydroxy-2-oxoacetate; 1-phenoxy-3-pyrrolidin-1-ium-1-ylpropan-2-ol Traditional Name: 1-phenoxy-3-pyrrolidin-1-ium-1-yl-propan-2-ol binoxalate Formula: C15H21NO6 MolecularWeight: 311.33034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(COC2=CC=CC=C2)O.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CC[NH+](C1)CC(COC2=CC=CC=C2)O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C13H19NO2.C2H2O4/c15-12(10-14-8-4-5-9-14)11-16-13-6-2-1-3-7-13;3-1(4)2(5)6/h1-3,6-7,12,15H,4-5,8-11H2;(H,3,4)(H,5,6)