5-methyl-5-nitro-2-phenethyl-1,3-dioxane

Systemtic Name: 5-methyl-5-nitro-2-phenethyl-1,3-dioxane Openeye Name: 5-methyl-5-nitro-2-phenethyl-1,3-dioxane CAS Name: 5-methyl-5-nitro-2-phenethyl-1,3-dioxane IUPAC Name: 5-methyl-5-nitro-2-phenethyl-1,3-dioxane Traditional Name: 5-methyl-5-nitro-2-phenethyl-1,3-dioxane Formula: C13H17NO4 MolecularWeight: 251.27838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)CCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1(COC(OC1)CCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO4/c1-13(14(15)16)9-17-12(18-10-13)8-7-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3