diethyl-(2-oxidanyl-4,4-diphenyl-butyl)azanium; ethanedioate

Systemtic Name: diethyl-(2-oxidanyl-4,4-diphenyl-butyl)azanium; ethanedioate Openeye Name: diethyl-(2-hydroxy-4,4-diphenyl-butyl)ammonium; oxalate CAS Name: diethyl-(2-hydroxy-4,4-diphenylbutyl)ammonium; oxalate IUPAC Name: diethyl-(2-hydroxy-4,4-diphenylbutyl)azanium; oxalate Traditional Name: diethyl-(2-hydroxy-4,4-diphenyl-butyl)ammonium; oxalate Formula: C42H56N2O6 MolecularWeight: 684.90384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C20H27NO.C2H2O4/c2*1-3-21(4-2)16-19(22)15-20(17-11-7-5-8-12-17)18-13-9-6-10-14-18;3-1(4)2(5)6/h2*5-14,19-20,22H,3-4,15-16H2,1-2H3;(H,3,4)(H,5,6)