5-methyl-6-nitro-3-oxidanyl-hexanoate

Systemtic Name: 5-methyl-6-nitro-3-oxidanyl-hexanoate Openeye Name: 3-hydroxy-5-methyl-6-nitro-hexanoate CAS Name: 3-hydroxy-5-methyl-6-nitrohexanoate IUPAC Name: 3-hydroxy-5-methyl-6-nitrohexanoate Traditional Name: 3-hydroxy-5-methyl-6-nitro-hexanoate Formula: C7H12NO5- MolecularWeight: 190.17388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H13NO5/c1-5(4-8(12)13)2-6(9)3-7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)/p-1