ethanedioate; hexyl-[4-(4-nitrophenyl)butyl]-propyl-azanium

Systemtic Name: ethanedioate; hexyl-[4-(4-nitrophenyl)butyl]-propyl-azanium Openeye Name: hexyl-[4-(4-nitrophenyl)butyl]-propyl-ammonium; oxalate CAS Name: hexyl-[4-(4-nitrophenyl)butyl]-propylammonium; oxalate IUPAC Name: hexyl-[4-(4-nitrophenyl)butyl]-propylazanium; oxalate Traditional Name: hexyl-[4-(4-nitrophenyl)butyl]-propyl-ammonium; oxalate Formula: C40H66N4O8 MolecularWeight: 730.97404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C19H32N2O2.C2H2O4/c2*1-3-5-6-8-16-20(15-4-2)17-9-7-10-18-11-13-19(14-12-18)21(22)23;3-1(4)2(5)6/h2*11-14H,3-10,15-17H2,1-2H3;(H,3,4)(H,5,6)