2-(hydroxymethyl)-2,5-dinitro-hexane-1,1,5-triol

Systemtic Name: 2-(hydroxymethyl)-2,5-dinitro-hexane-1,1,5-triol Openeye Name: 2-(hydroxymethyl)-2,5-dinitro-hexane-1,1,5-triol CAS Name: 2-(hydroxymethyl)-2,5-dinitrohexane-1,1,5-triol IUPAC Name: 2-(hydroxymethyl)-2,5-dinitrohexane-1,1,5-triol Traditional Name: 2-methylol-2,5-dinitro-hexane-1,1,5-triol Formula: C7H14N2O8 MolecularWeight: 254.19466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H14N2O8/c1-6(13,8(14)15)2-3-7(4-10,5(11)12)9(16)17/h5,10-13H,2-4H2,1H3