8-methyl-3-[3,4,5-tris(trifluoromethyl)phenyl]-2H-1,3-benzoxazin-3-ium

Systemtic Name: 8-methyl-3-[3,4,5-tris(trifluoromethyl)phenyl]-2H-1,3-benzoxazin-3-ium Openeye Name: 8-methyl-3-[3,4,5-tris(trifluoromethyl)phenyl]-2H-1,3-benzoxazin-3-ium CAS Name: 8-methyl-3-[3,4,5-tris(trifluoromethyl)phenyl]-2H-1,3-benzoxazin-3-ium IUPAC Name: 8-methyl-3-[3,4,5-tris(trifluoromethyl)phenyl]-2H-1,3-benzoxazin-3-ium Traditional Name: 8-methyl-3-[3,4,5-tris(trifluoromethyl)phenyl]-2H-1,3-benzoxazin-3-ium Formula: C18H11F9NO+ MolecularWeight: 428.271669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC2=C1OC[N+](=C2)C3=CC(=C(C(=C3)C(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)11-5-12(16(19,20)21)14(18(25,26)27)13(6-11)17(22,23)24/h2-7H,8H2,1H3/q+1