(2-methanoylphenyl) 2,2-dimethyl-5,6-dinitrooxy-hexanoate

Systemtic Name: (2-methanoylphenyl) 2,2-dimethyl-5,6-dinitrooxy-hexanoate Openeye Name: (2-formylphenyl) 2,2-dimethyl-5,6-dinitrooxy-hexanoate CAS Name: 2,2-dimethyl-5,6-dinitrooxyhexanoic acid (2-formylphenyl) ester IUPAC Name: (2-formylphenyl) 2,2-dimethyl-5,6-dinitrooxyhexanoate Traditional Name: 2,2-dimethyl-5,6-dinitrooxy-hexanoic acid (2-formylphenyl) ester Formula: C15H18N2O9 MolecularWeight: 370.31142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(CO[N+](=O)[O-])O[N+](=O)[O-])C(=O)OC1=CC=CC=C1C=O

Isomeric SMILES

CC(C)(CCC(CO[N+](=O)[O-])O[N+](=O)[O-])C(=O)OC1=CC=CC=C1C=O

InChI

InChI=1S/C15H18N2O9/c1-15(2,8-7-12(26-17(22)23)10-24-16(20)21)14(19)25-13-6-4-3-5-11(13)9-18/h3-6,9,12H,7-8,10H2,1-2H3