2-nitropropane; 2-nitropropanoate; tetrabutylazanium

Systemtic Name: 2-nitropropane; 2-nitropropanoate; tetrabutylazanium Openeye Name: 2-nitropropane; 2-nitropropanoate; tetrabutylammonium CAS Name: 2-nitropropane; 2-nitropropanoate; tetrabutylammonium IUPAC Name: 2-nitropropane; 2-nitropropanoate; tetrabutylazanium Traditional Name: 2-nitropropane; 2-nitropropionate; tetrabutylammonium Formula: C22H47N3O6 MolecularWeight: 449.62508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H36N.C3H5NO4.C3H7NO2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2(3(5)6)4(7)8;1-3(2)4(5)6/h5-16H2,1-4H3;2H,1H3,(H,5,6);3H,1-2H3/q+1;;/p-1