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

Systemtic Name: ethanedioate; (2-oxidanyl-4,4-diphenyl-butyl)-dipropyl-azanium Openeye Name: (2-hydroxy-4,4-diphenyl-butyl)-dipropyl-ammonium; oxalate CAS Name: (2-hydroxy-4,4-diphenylbutyl)-dipropylammonium; oxalate IUPAC Name: (2-hydroxy-4,4-diphenylbutyl)-dipropylazanium; oxalate Traditional Name: (2-hydroxy-4,4-diphenyl-butyl)-dipropyl-ammonium; oxalate Formula: C46H64N2O6 MolecularWeight: 741.01016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C22H31NO.C2H2O4/c2*1-3-15-23(16-4-2)18-21(24)17-22(19-11-7-5-8-12-19)20-13-9-6-10-14-20;3-1(4)2(5)6/h2*5-14,21-22,24H,3-4,15-18H2,1-2H3;(H,3,4)(H,5,6)