5-methyl-5-(nitromethyl)undecane-3,6-dione

Systemtic Name: 5-methyl-5-(nitromethyl)undecane-3,6-dione Openeye Name: 5-methyl-5-(nitromethyl)undecane-3,6-dione CAS Name: 5-methyl-5-(nitromethyl)undecane-3,6-dione IUPAC Name: 5-methyl-5-(nitromethyl)undecane-3,6-dione Traditional Name: 5-methyl-5-(nitromethyl)undecane-3,6-dione Formula: C13H23NO4 MolecularWeight: 257.32602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23NO4/c1-4-6-7-8-12(16)13(3,10-14(17)18)9-11(15)5-2/h4-10H2,1-3H3