2-[(2S)-butan-2-yl]-4,6-dinitro-phenolate

Systemtic Name: 2-[(2S)-butan-2-yl]-4,6-dinitro-phenolate Openeye Name: 2-[(1S)-1-methylpropyl]-4,6-dinitro-phenolate CAS Name: 2-[(2S)-butan-2-yl]-4,6-dinitrophenolate IUPAC Name: 2-[(2S)-butan-2-yl]-4,6-dinitrophenolate Traditional Name: 2-[(1S)-1-methylpropyl]-4,6-dinitro-phenolate Formula: C10H11N2O5- MolecularWeight: 239.20474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3/p-1/t6-/m0/s1