ethanedioate; ethyl-[4-(4-nitrophenyl)butyl]-octyl-azanium

Systemtic Name: ethanedioate; ethyl-[4-(4-nitrophenyl)butyl]-octyl-azanium Openeye Name: ethyl-[4-(4-nitrophenyl)butyl]-octyl-ammonium; oxalate CAS Name: ethyl-[4-(4-nitrophenyl)butyl]-octylammonium; oxalate IUPAC Name: ethyl-[4-(4-nitrophenyl)butyl]-octylazanium; oxalate Traditional Name: ethyl-[4-(4-nitrophenyl)butyl]-octyl-ammonium; oxalate Formula: C42H70N4O8 MolecularWeight: 759.0272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[NH+](CC)CCCCC1=CC=C(C=C1)[N+](=O)[O-].CCCCCCCC[NH+](CC)CCCCC1=CC=C(C=C1)[N+](=O)[O-].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCCCCCCC[NH+](CC)CCCCC1=CC=C(C=C1)[N+](=O)[O-].CCCCCCCC[NH+](CC)CCCCC1=CC=C(C=C1)[N+](=O)[O-].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C20H34N2O2.C2H2O4/c2*1-3-5-6-7-8-10-17-21(4-2)18-11-9-12-19-13-15-20(16-14-19)22(23)24;3-1(4)2(5)6/h2*13-16H,3-12,17-18H2,1-2H3;(H,3,4)(H,5,6)