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

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

Systemtic Name:3,5-dinitro-4-[pentyl(dipropyl)azaniumyl]benzoate
Openeye Name:3,5-dinitro-4-[pentyl(dipropyl)ammonio]benzoate
CAS Name:3,5-dinitro-4-[pentyl(dipropyl)ammonio]benzoate
IUPAC Name:3,5-dinitro-4-[pentyl(dipropyl)azaniumyl]benzoate
Traditional Name:4-[amyl(dipropyl)ammonio]-3,5-dinitro-benzoate
Formula: C18H27N3O6
MolecularWeight: 381.42348
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H27N3O6/c1-4-7-8-11-21(9-5-2,10-6-3)17-15(19(24)25)12-14(18(22)23)13-16(17)20(26)27/h12-13H,4-11H2,1-3H3


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