dibutylazanium; 3,6-dinitro-4-oxidanylidene-chromen-2-olate

Systemtic Name: dibutylazanium; 3,6-dinitro-4-oxidanylidene-chromen-2-olate Openeye Name: dibutylammonium; 3,6-dinitro-4-oxo-chromen-2-olate CAS Name: dibutylammonium; 3,6-dinitro-4-oxo-1-benzopyran-2-olate IUPAC Name: dibutylazanium; 3,6-dinitro-4-oxochromen-2-olate Traditional Name: dibutylammonium; 4-keto-3,6-dinitro-chromen-2-olate Formula: C17H23N3O7 MolecularWeight: 381.38042

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CCCC.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=C(O2)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC[NH2+]CCCC.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=C(O2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H4N2O7.C8H19N/c12-8-5-3-4(10(14)15)1-2-6(5)18-9(13)7(8)11(16)17;1-3-5-7-9-8-6-4-2/h1-3,13H;9H,3-8H2,1-2H3