butyl-ethyl-heptyl-(3-nitrophenyl)azanium; ethanedioate

Systemtic Name: butyl-ethyl-heptyl-(3-nitrophenyl)azanium; ethanedioate Openeye Name: butyl-ethyl-heptyl-(3-nitrophenyl)ammonium; oxalate CAS Name: butyl-ethyl-heptyl-(3-nitrophenyl)ammonium; oxalate IUPAC Name: butyl-ethyl-heptyl-(3-nitrophenyl)azanium; oxalate Traditional Name: butyl-ethyl-heptyl-(3-nitrophenyl)ammonium; oxalate Formula: C40H66N4O8 MolecularWeight: 730.97404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CC)(CCCC)C1=CC=CC(=C1)[N+](=O)[O-].CCCCCCC[N+](CC)(CCCC)C1=CC=CC(=C1)[N+](=O)[O-].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCCCCCC[N+](CC)(CCCC)C1=CC=CC(=C1)[N+](=O)[O-].CCCCCCC[N+](CC)(CCCC)C1=CC=CC(=C1)[N+](=O)[O-].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C19H33N2O2.C2H2O4/c2*1-4-7-9-10-11-16-21(6-3,15-8-5-2)19-14-12-13-18(17-19)20(22)23;3-1(4)2(5)6/h2*12-14,17H,4-11,15-16H2,1-3H3;(H,3,4)(H,5,6)/q2*+1;/p-2