3,4-dimethyl-2,6-dinitro-phenolate; tetrabutylazanium

Systemtic Name: 3,4-dimethyl-2,6-dinitro-phenolate; tetrabutylazanium Openeye Name: 3,4-dimethyl-2,6-dinitro-phenolate; tetrabutylammonium CAS Name: 3,4-dimethyl-2,6-dinitrophenolate; tetrabutylammonium IUPAC Name: 3,4-dimethyl-2,6-dinitrophenolate; tetrabutylazanium Traditional Name: 3,4-dimethyl-2,6-dinitro-phenolate; tetrabutylammonium Formula: C24H43N3O5 MolecularWeight: 453.61532

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CC1=CC(=C(C(=C1C)[N+](=O)[O-])[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CC1=CC(=C(C(=C1C)[N+](=O)[O-])[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H36N.C8H8N2O5/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-4-3-6(9(12)13)8(11)7(5(4)2)10(14)15/h5-16H2,1-4H3;3,11H,1-2H3/q+1;/p-1