2,4-dimethyl-3,5-dinitro-benzoic acid

Systemtic Name: 2,4-dimethyl-3,5-dinitro-benzoic acid Openeye Name: 2,4-dimethyl-3,5-dinitro-benzoic acid CAS Name: 2,4-dimethyl-3,5-dinitrobenzoic acid IUPAC Name: 2,4-dimethyl-3,5-dinitrobenzoic acid Traditional Name: 2,4-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=C1C(=O)O)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1C(=O)O)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

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