dibutyl-heptyl-(3-nitrophenyl)azanium; ethanedioate

Systemtic Name: dibutyl-heptyl-(3-nitrophenyl)azanium; ethanedioate Openeye Name: dibutyl-heptyl-(3-nitrophenyl)ammonium; oxalate CAS Name: dibutyl-heptyl-(3-nitrophenyl)ammonium; oxalate IUPAC Name: dibutyl-heptyl-(3-nitrophenyl)azanium; oxalate Traditional Name: dibutyl-heptyl-(3-nitrophenyl)ammonium; oxalate Formula: C44H74N4O8 MolecularWeight: 787.08036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C21H37N2O2.C2H2O4/c2*1-4-7-10-11-12-18-23(16-8-5-2,17-9-6-3)21-15-13-14-20(19-21)22(24)25;3-1(4)2(5)6/h2*13-15,19H,4-12,16-18H2,1-3H3;(H,3,4)(H,5,6)/q2*+1;/p-2