(2-methanoylphenyl) 5,6-dinitrooxyhexanoate

Systemtic Name: (2-methanoylphenyl) 5,6-dinitrooxyhexanoate Openeye Name: (2-formylphenyl) 5,6-dinitrooxyhexanoate CAS Name: 5,6-dinitrooxyhexanoic acid (2-formylphenyl) ester IUPAC Name: (2-formylphenyl) 5,6-dinitrooxyhexanoate Traditional Name: 5,6-dinitrooxyhexanoic acid (2-formylphenyl) ester Formula: C13H14N2O9 MolecularWeight: 342.25826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=O)OC(=O)CCCC(CO[N+](=O)[O-])O[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C=O)OC(=O)CCCC(CO[N+](=O)[O-])O[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O9/c16-8-10-4-1-2-6-12(10)23-13(17)7-3-5-11(24-15(20)21)9-22-14(18)19/h1-2,4,6,8,11H,3,5,7,9H2