2-methyl-3,5-dinitro-benzoic acid

Systemtic Name: 2-methyl-3,5-dinitro-benzoic acid Openeye Name: 2-methyl-3,5-dinitro-benzoic acid CAS Name: 2-methyl-3,5-dinitrobenzoic acid IUPAC Name: 2-methyl-3,5-dinitrobenzoic acid Traditional Name: 2-methyl-3,5-dinitro-benzoic acid Formula: C8H6N2O6 MolecularWeight: 226.14304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6N2O6/c1-4-6(8(11)12)2-5(9(13)14)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)