5,5-dinitrohexan-2-ol

Systemtic Name: 5,5-dinitrohexan-2-ol Openeye Name: 5,5-dinitrohexan-2-ol CAS Name: 5,5-dinitro-2-hexanol IUPAC Name: 5,5-dinitrohexan-2-ol Traditional Name: 5,5-dinitrohexan-2-ol Formula: C6H12N2O5 MolecularWeight: 192.16988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H12N2O5/c1-5(9)3-4-6(2,7(10)11)8(12)13/h5,9H,3-4H2,1-2H3