2,5-dimethyl-5-nitro-2-pentyl-1,3-dioxane

Systemtic Name: 2,5-dimethyl-5-nitro-2-pentyl-1,3-dioxane Openeye Name: 2,5-dimethyl-5-nitro-2-pentyl-1,3-dioxane CAS Name: 2,5-dimethyl-5-nitro-2-pentyl-1,3-dioxane IUPAC Name: 2,5-dimethyl-5-nitro-2-pentyl-1,3-dioxane Traditional Name: 2-amyl-2,5-dimethyl-5-nitro-1,3-dioxane Formula: C11H21NO4 MolecularWeight: 231.28874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(OCC(CO1)(C)[N+](=O)[O-])C

Isomeric SMILES

CCCCCC1(OCC(CO1)(C)[N+](=O)[O-])C

InChI

InChI=1S/C11H21NO4/c1-4-5-6-7-11(3)15-8-10(2,9-16-11)12(13)14/h4-9H2,1-3H3