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

Systemtic Name: 3,5-dinitro-4-[octyl(dipropyl)azaniumyl]benzoate Openeye Name: 3,5-dinitro-4-[octyl(dipropyl)ammonio]benzoate CAS Name: 3,5-dinitro-4-[octyl(dipropyl)ammonio]benzoate IUPAC Name: 3,5-dinitro-4-[octyl(dipropyl)azaniumyl]benzoate Traditional Name: 3,5-dinitro-4-[octyl(dipropyl)ammonio]benzoate Formula: C21H33N3O6 MolecularWeight: 423.50322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O6/c1-4-7-8-9-10-11-14-24(12-5-2,13-6-3)20-18(22(27)28)15-17(21(25)26)16-19(20)23(29)30/h15-16H,4-14H2,1-3H3