3,5-dinitrobenzoate; tetrabutylazanium

Systemtic Name: 3,5-dinitrobenzoate; tetrabutylazanium Openeye Name: 3,5-dinitrobenzoate; tetrabutylammonium CAS Name: 3,5-dinitrobenzoate; tetrabutylammonium IUPAC Name: 3,5-dinitrobenzoate; tetrabutylazanium Traditional Name: 3,5-dinitrobenzoate; tetrabutylammonium Formula: C23H39N3O6 MolecularWeight: 453.57226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H36N.C7H4N2O6/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h5-16H2,1-4H3;1-3H,(H,10,11)/q+1;/p-1