ethanedioate; (2-oxidanyl-4,4-diphenyl-butyl)-di(propan-2-yl)azanium

Systemtic Name: ethanedioate; (2-oxidanyl-4,4-diphenyl-butyl)-di(propan-2-yl)azanium Openeye Name: (2-hydroxy-4,4-diphenyl-butyl)-diisopropyl-ammonium; oxalate CAS Name: (2-hydroxy-4,4-diphenylbutyl)-di(propan-2-yl)ammonium; oxalate IUPAC Name: (2-hydroxy-4,4-diphenylbutyl)-di(propan-2-yl)azanium; oxalate Traditional Name: (2-hydroxy-4,4-diphenyl-butyl)-diisopropyl-ammonium; oxalate Formula: C46H64N2O6 MolecularWeight: 741.01016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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