(2,4,6-triethyl-3,5-dinitro-phenyl)methanetriolate

Systemtic Name: (2,4,6-triethyl-3,5-dinitro-phenyl)methanetriolate Openeye Name: (2,4,6-triethyl-3,5-dinitro-phenyl)methanetriolate CAS Name: (2,4,6-triethyl-3,5-dinitrophenyl)methanetriolate IUPAC Name: (2,4,6-triethyl-3,5-dinitrophenyl)methanetriolate Traditional Name: (2,4,6-triethyl-3,5-dinitro-phenyl)methanetriolate Formula: C13H15N2O7-3 MolecularWeight: 311.2674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1[N+](=O)[O-])CC)[N+](=O)[O-])CC)C([O-])([O-])[O-]

Isomeric SMILES

CCC1=C(C(=C(C(=C1[N+](=O)[O-])CC)[N+](=O)[O-])CC)C([O-])([O-])[O-]

InChI

InChI=1S/C13H15N2O7/c1-4-7-10(13(16,17)18)8(5-2)12(15(21)22)9(6-3)11(7)14(19)20/h4-6H2,1-3H3/q-3