3-(diphenylmethyl)oxypropyl-methyl-(2-oxidanyl-3-phenoxy-propyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 3-(diphenylmethyl)oxypropyl-methyl-(2-oxidanyl-3-phenoxy-propyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 3-benzhydryloxypropyl-(2-hydroxy-3-phenoxy-propyl)-methyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 3-(diphenylmethyl)oxypropyl-(2-hydroxy-3-phenoxypropyl)-methylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 3-benzhydryloxypropyl-(2-hydroxy-3-phenoxypropyl)-methylazanium; 2-hydroxy-2-oxoacetate Traditional Name: 3-benzhydryloxypropyl-(2-hydroxy-3-phenoxy-propyl)-methyl-ammonium binoxalate Formula: C28H33NO7 MolecularWeight: 495.56412

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCOC(C1=CC=CC=C1)C2=CC=CC=C2)CC(COC3=CC=CC=C3)O.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+](CCCOC(C1=CC=CC=C1)C2=CC=CC=C2)CC(COC3=CC=CC=C3)O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C26H31NO3.C2H2O4/c1-27(20-24(28)21-30-25-16-9-4-10-17-25)18-11-19-29-26(22-12-5-2-6-13-22)23-14-7-3-8-15-23;3-1(4)2(5)6/h2-10,12-17,24,26,28H,11,18-21H2,1H3;(H,3,4)(H,5,6)