5-nitro-2-phenyl-4-propyl-1,3-dioxane

Systemtic Name: 5-nitro-2-phenyl-4-propyl-1,3-dioxane Openeye Name: 5-nitro-2-phenyl-4-propyl-1,3-dioxane CAS Name: 5-nitro-2-phenyl-4-propyl-1,3-dioxane IUPAC Name: 5-nitro-2-phenyl-4-propyl-1,3-dioxane Traditional Name: 5-nitro-2-phenyl-4-propyl-1,3-dioxane Formula: C13H17NO4 MolecularWeight: 251.27838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(COC(O1)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1C(COC(O1)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO4/c1-2-6-12-11(14(15)16)9-17-13(18-12)10-7-4-3-5-8-10/h3-5,7-8,11-13H,2,6,9H2,1H3