3,5-dinitro-4-propyl-benzoate

Systemtic Name: 3,5-dinitro-4-propyl-benzoate Openeye Name: 3,5-dinitro-4-propyl-benzoate CAS Name: 3,5-dinitro-4-propylbenzoate IUPAC Name: 3,5-dinitro-4-propylbenzoate Traditional Name: 3,5-dinitro-4-propyl-benzoate Formula: C10H9N2O6- MolecularWeight: 253.18826

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(C=C(C=C1[N+](=O)[O-])C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H10N2O6/c1-2-3-7-8(11(15)16)4-6(10(13)14)5-9(7)12(17)18/h4-5H,2-3H2,1H3,(H,13,14)/p-1