4-(2-methylbutan-2-yl)-2,6-dinitro-phenolate

Systemtic Name: 4-(2-methylbutan-2-yl)-2,6-dinitro-phenolate Openeye Name: 4-(1,1-dimethylpropyl)-2,6-dinitro-phenolate CAS Name: 4-(2-methylbutan-2-yl)-2,6-dinitrophenolate IUPAC Name: 4-(2-methylbutan-2-yl)-2,6-dinitrophenolate Traditional Name: 4-tert-amyl-2,6-dinitro-phenolate Formula: C11H13N2O5- MolecularWeight: 253.23132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O5/c1-4-11(2,3)7-5-8(12(15)16)10(14)9(6-7)13(17)18/h5-6,14H,4H2,1-3H3/p-1