2-[[2,4-dinitro-6-(trifluoromethyl)phenoxy]methyl]oxane

Systemtic Name: 2-[[2,4-dinitro-6-(trifluoromethyl)phenoxy]methyl]oxane Openeye Name: 2-[[2,4-dinitro-6-(trifluoromethyl)phenoxy]methyl]tetrahydropyran CAS Name: 2-[[2,4-dinitro-6-(trifluoromethyl)phenoxy]methyl]oxane IUPAC Name: 2-[[2,4-dinitro-6-(trifluoromethyl)phenoxy]methyl]oxane Traditional Name: 2-[[2,4-dinitro-6-(trifluoromethyl)phenoxy]methyl]tetrahydropyran Formula: C13H13F3N2O6 MolecularWeight: 350.24733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)COC2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCOC(C1)COC2=C(C=C(C=C2C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H13F3N2O6/c14-13(15,16)10-5-8(17(19)20)6-11(18(21)22)12(10)24-7-9-3-1-2-4-23-9/h5-6,9H,1-4,7H2