5-nitro-5-(2-nitropropan-2-yl)-2-phenyl-1,3-dioxane

Systemtic Name: 5-nitro-5-(2-nitropropan-2-yl)-2-phenyl-1,3-dioxane Openeye Name: 5-(1-methyl-1-nitro-ethyl)-5-nitro-2-phenyl-1,3-dioxane CAS Name: 5-nitro-5-(2-nitropropan-2-yl)-2-phenyl-1,3-dioxane IUPAC Name: 5-nitro-5-(2-nitropropan-2-yl)-2-phenyl-1,3-dioxane Traditional Name: 5-(1-methyl-1-nitro-ethyl)-5-nitro-2-phenyl-1,3-dioxane Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1(COC(OC1)C2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C1(COC(OC1)C2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O6/c1-12(2,14(16)17)13(15(18)19)8-20-11(21-9-13)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3