3,5-dimethyl-5-nitro-3-oxidanyl-hexan-2-one

Systemtic Name: 3,5-dimethyl-5-nitro-3-oxidanyl-hexan-2-one Openeye Name: 3-hydroxy-3,5-dimethyl-5-nitro-hexan-2-one CAS Name: 3-hydroxy-3,5-dimethyl-5-nitro-2-hexanone IUPAC Name: 3-hydroxy-3,5-dimethyl-5-nitrohexan-2-one Traditional Name: 3-hydroxy-3,5-dimethyl-5-nitro-hexan-2-one Formula: C8H15NO4 MolecularWeight: 189.209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H15NO4/c1-6(10)8(4,11)5-7(2,3)9(12)13/h11H,5H2,1-4H3