2-methanoyl-3,5-dimethyl-4,6-dinitro-phenolate

Systemtic Name: 2-methanoyl-3,5-dimethyl-4,6-dinitro-phenolate Openeye Name: 2-formyl-3,5-dimethyl-4,6-dinitro-phenolate CAS Name: 2-formyl-3,5-dimethyl-4,6-dinitrophenolate IUPAC Name: 2-formyl-3,5-dimethyl-4,6-dinitrophenolate Traditional Name: 2-formyl-3,5-dimethyl-4,6-dinitro-phenolate Formula: C9H7N2O6- MolecularWeight: 239.16168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1[N+](=O)[O-])C)[N+](=O)[O-])[O-])C=O

Isomeric SMILES

CC1=C(C(=C(C(=C1[N+](=O)[O-])C)[N+](=O)[O-])[O-])C=O

InChI

InChI=1S/C9H8N2O6/c1-4-6(3-12)9(13)8(11(16)17)5(2)7(4)10(14)15/h3,13H,1-2H3/p-1