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

Systemtic Name: ethanedioate; ethyl-[4-(4-nitrophenyl)butyl]-pentyl-azanium Openeye Name: ethyl-[4-(4-nitrophenyl)butyl]-pentyl-ammonium; oxalate CAS Name: ethyl-[4-(4-nitrophenyl)butyl]-pentylammonium; oxalate IUPAC Name: ethyl-[4-(4-nitrophenyl)butyl]-pentylazanium; oxalate Traditional Name: amyl-ethyl-[4-(4-nitrophenyl)butyl]ammonium; oxalate Formula: C36H58N4O8 MolecularWeight: 674.86772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C17H28N2O2.C2H2O4/c2*1-3-5-7-14-18(4-2)15-8-6-9-16-10-12-17(13-11-16)19(20)21;3-1(4)2(5)6/h2*10-13H,3-9,14-15H2,1-2H3;(H,3,4)(H,5,6)