4-tert-butyl-2,5-dinitro-benzoic acid

Systemtic Name: 4-tert-butyl-2,5-dinitro-benzoic acid Openeye Name: 4-tert-butyl-2,5-dinitro-benzoic acid CAS Name: 4-tert-butyl-2,5-dinitrobenzoic acid IUPAC Name: 4-tert-butyl-2,5-dinitrobenzoic acid Traditional Name: 4-tert-butyl-2,5-dinitro-benzoic acid Formula: C11H12N2O6 MolecularWeight: 268.22278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O6/c1-11(2,3)7-5-8(12(16)17)6(10(14)15)4-9(7)13(18)19/h4-5H,1-3H3,(H,14,15)