8-methyl-3-[2,4,6-tris(trifluoromethyl)phenyl]-2H-1,3-benzoxazin-3-ium

Systemtic Name: 8-methyl-3-[2,4,6-tris(trifluoromethyl)phenyl]-2H-1,3-benzoxazin-3-ium Openeye Name: 8-methyl-3-[2,4,6-tris(trifluoromethyl)phenyl]-2H-1,3-benzoxazin-3-ium CAS Name: 8-methyl-3-[2,4,6-tris(trifluoromethyl)phenyl]-2H-1,3-benzoxazin-3-ium IUPAC Name: 8-methyl-3-[2,4,6-tris(trifluoromethyl)phenyl]-2H-1,3-benzoxazin-3-ium Traditional Name: 8-methyl-3-[2,4,6-tris(trifluoromethyl)phenyl]-2H-1,3-benzoxazin-3-ium Formula: C18H11F9NO+ MolecularWeight: 428.271669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1OC[N+](=C2)C3=C(C=C(C=C3C(F)(F)F)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=CC2=C1OC[N+](=C2)C3=C(C=C(C=C3C(F)(F)F)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H11F9NO/c1-9-3-2-4-10-7-28(8-29-15(9)10)14-12(17(22,23)24)5-11(16(19,20)21)6-13(14)18(25,26)27/h2-7H,8H2,1H3/q+1