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

Systemtic Name: 2,2-dimethyl-5-nitro-5-phenyl-1,3-dioxane Openeye Name: 2,2-dimethyl-5-nitro-5-phenyl-1,3-dioxane CAS Name: 2,2-dimethyl-5-nitro-5-phenyl-1,3-dioxane IUPAC Name: 2,2-dimethyl-5-nitro-5-phenyl-1,3-dioxane Traditional Name: 2,2-dimethyl-5-nitro-5-phenyl-1,3-dioxane Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)(C2=CC=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(OCC(CO1)(C2=CC=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C12H15NO4/c1-11(2)16-8-12(9-17-11,13(14)15)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3