dibutyl-(4-carboxy-2,6-dinitro-phenyl)-octyl-azanium

Systemtic Name: dibutyl-(4-carboxy-2,6-dinitro-phenyl)-octyl-azanium Openeye Name: dibutyl-(4-carboxy-2,6-dinitro-phenyl)-octyl-ammonium CAS Name: dibutyl-(4-carboxy-2,6-dinitrophenyl)-octylammonium IUPAC Name: dibutyl-(4-carboxy-2,6-dinitrophenyl)-octylazanium Traditional Name: dibutyl-(4-carboxy-2,6-dinitro-phenyl)-octyl-ammonium Formula: C23H38N3O6+ MolecularWeight: 452.56432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](CCCC)(CCCC)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC[N+](CCCC)(CCCC)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C23H37N3O6/c1-4-7-10-11-12-13-16-26(14-8-5-2,15-9-6-3)22-20(24(29)30)17-19(23(27)28)18-21(22)25(31)32/h17-18H,4-16H2,1-3H3/p+1