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

Systemtic Name: 8-methyl-3-[2,4,6-tris(trifluoromethyl)phenyl]-1,3-benzoxazin-3-ium-2-one Openeye Name: 8-methyl-3-[2,4,6-tris(trifluoromethyl)phenyl]-1,3-benzoxazin-3-ium-2-one CAS Name: 8-methyl-3-[2,4,6-tris(trifluoromethyl)phenyl]-1,3-benzoxazin-3-ium-2-one IUPAC Name: 8-methyl-3-[2,4,6-tris(trifluoromethyl)phenyl]-1,3-benzoxazin-3-ium-2-one Traditional Name: 8-methyl-3-[2,4,6-tris(trifluoromethyl)phenyl]-1,3-benzoxazin-3-ium-2-one Formula: C18H9F9NO2+ MolecularWeight: 442.255189

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H9F9NO2/c1-8-3-2-4-9-7-28(15(29)30-14(8)9)13-11(17(22,23)24)5-10(16(19,20)21)6-12(13)18(25,26)27/h2-7H,1H3/q+1