(3E)-7-tert-butyl-5-methyl-3-[[4-(trifluoromethyl)phenyl]methylidene]-2H-1,3-benzoxazol-3-ium

Systemtic Name: (3E)-7-tert-butyl-5-methyl-3-[[4-(trifluoromethyl)phenyl]methylidene]-2H-1,3-benzoxazol-3-ium Openeye Name: (3E)-7-tert-butyl-5-methyl-3-[[4-(trifluoromethyl)phenyl]methylene]-2H-1,3-benzoxazol-3-ium CAS Name: (3E)-7-tert-butyl-5-methyl-3-[[4-(trifluoromethyl)phenyl]methylidene]-2H-1,3-benzoxazol-3-ium IUPAC Name: (3E)-7-tert-butyl-5-methyl-3-[[4-(trifluoromethyl)phenyl]methylidene]-2H-1,3-benzoxazol-3-ium Traditional Name: (3E)-7-tert-butyl-5-methyl-3-[4-(trifluoromethyl)benzylidene]-2H-1,3-benzoxazol-3-ium Formula: C20H21F3NO+ MolecularWeight: 348.38205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)[N+](=CC3=CC=C(C=C3)C(F)(F)F)CO2)C(C)(C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)/[N+](=C\C3=CC=C(C=C3)C(F)(F)F)/CO2)C(C)(C)C

InChI

InChI=1S/C20H21F3NO/c1-13-9-16(19(2,3)4)18-17(10-13)24(12-25-18)11-14-5-7-15(8-6-14)20(21,22)23/h5-11H,12H2,1-4H3/q+1/b24-11-