4-[dibutyl(octyl)azaniumyl]-3,5-dinitro-benzoate

Systemtic Name: 4-[dibutyl(octyl)azaniumyl]-3,5-dinitro-benzoate Openeye Name: 4-[dibutyl(octyl)ammonio]-3,5-dinitro-benzoate CAS Name: 4-[dibutyl(octyl)ammonio]-3,5-dinitrobenzoate IUPAC Name: 4-[dibutyl(octyl)azaniumyl]-3,5-dinitrobenzoate Traditional Name: 4-[dibutyl(octyl)ammonio]-3,5-dinitro-benzoate Formula: C23H37N3O6 MolecularWeight: 451.55638

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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