3-(diphenylmethyl)oxypropyl-methyl-(2-oxidanyl-2-phenyl-ethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 3-(diphenylmethyl)oxypropyl-methyl-(2-oxidanyl-2-phenyl-ethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 3-benzhydryloxypropyl-(2-hydroxy-2-phenyl-ethyl)-methyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 3-(diphenylmethyl)oxypropyl-(2-hydroxy-2-phenylethyl)-methylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 3-benzhydryloxypropyl-(2-hydroxy-2-phenylethyl)-methylazanium; 2-hydroxy-2-oxoacetate Traditional Name: 3-benzhydryloxypropyl-(2-hydroxy-2-phenyl-ethyl)-methyl-ammonium binoxalate Formula: C27H31NO6 MolecularWeight: 465.53814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCOC(C1=CC=CC=C1)C2=CC=CC=C2)CC(C3=CC=CC=C3)O.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+](CCCOC(C1=CC=CC=C1)C2=CC=CC=C2)CC(C3=CC=CC=C3)O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C25H29NO2.C2H2O4/c1-26(20-24(27)21-12-5-2-6-13-21)18-11-19-28-25(22-14-7-3-8-15-22)23-16-9-4-10-17-23;3-1(4)2(5)6/h2-10,12-17,24-25,27H,11,18-20H2,1H3;(H,3,4)(H,5,6)