3-phenyl-5,7-bis(trifluoromethyl)-2H-1,3-benzoxazin-3-ium

Systemtic Name: 3-phenyl-5,7-bis(trifluoromethyl)-2H-1,3-benzoxazin-3-ium Openeye Name: 3-phenyl-5,7-bis(trifluoromethyl)-2H-1,3-benzoxazin-3-ium CAS Name: 3-phenyl-5,7-bis(trifluoromethyl)-2H-1,3-benzoxazin-3-ium IUPAC Name: 3-phenyl-5,7-bis(trifluoromethyl)-2H-1,3-benzoxazin-3-ium Traditional Name: 3-phenyl-5,7-bis(trifluoromethyl)-2H-1,3-benzoxazin-3-ium Formula: C16H10F6NO+ MolecularWeight: 346.247119

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Descriptors Computed from Structure

Canonical SMILES:

C1[N+](=CC2=C(C=C(C=C2O1)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

C1[N+](=CC2=C(C=C(C=C2O1)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C16H10F6NO/c17-15(18,19)10-6-13(16(20,21)22)12-8-23(9-24-14(12)7-10)11-4-2-1-3-5-11/h1-8H,9H2/q+1