5,5-dinitro-3-oxidanyl-pentan-2-one

Systemtic Name: 5,5-dinitro-3-oxidanyl-pentan-2-one Openeye Name: 3-hydroxy-5,5-dinitro-pentan-2-one CAS Name: 3-hydroxy-5,5-dinitro-2-pentanone IUPAC Name: 3-hydroxy-5,5-dinitropentan-2-one Traditional Name: 3-hydroxy-5,5-dinitro-pentan-2-one Formula: C5H8N2O6 MolecularWeight: 192.12682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H8N2O6/c1-3(8)4(9)2-5(6(10)11)7(12)13/h4-5,9H,2H2,1H3