sodium 2-butan-2-yl-4,6-dinitro-phenolate

Systemtic Name: sodium 2-butan-2-yl-4,6-dinitro-phenolate Openeye Name: sodium 2,4-dinitro-6-sec-butyl-phenolate CAS Name: sodium 2-butan-2-yl-4,6-dinitrophenolate IUPAC Name: sodium 2-butan-2-yl-4,6-dinitrophenolate Traditional Name: sodium 2,4-dinitro-6-sec-butyl-phenolate Formula: C10H11N2NaO5 MolecularWeight: 262.19451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O5.Na/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17;/h4-6,13H,3H2,1-2H3;/q;+1/p-1