2,6-dimethyl-3,5-dinitro-benzoic acid

Systemtic Name: 2,6-dimethyl-3,5-dinitro-benzoic acid Openeye Name: 2,6-dimethyl-3,5-dinitro-benzoic acid CAS Name: 2,6-dimethyl-3,5-dinitrobenzoic acid IUPAC Name: 2,6-dimethyl-3,5-dinitrobenzoic acid Traditional Name: 2,6-dimethyl-3,5-dinitro-benzoic acid Formula: C9H8N2O6 MolecularWeight: 240.16962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N2O6/c1-4-6(10(14)15)3-7(11(16)17)5(2)8(4)9(12)13/h3H,1-2H3,(H,12,13)