4-[6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine-3,5-diium-2-yl]benzenecarbonitrile

Systemtic Name: 4-[6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine-3,5-diium-2-yl]benzenecarbonitrile Openeye Name: 4-[6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine-3,5-diium-2-yl]benzonitrile CAS Name: 4-[6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine-3,5-diium-2-yl]benzonitrile IUPAC Name: 4-[6-phenyl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine-3,5-diium-2-yl]benzonitrile Traditional Name: 4-[6-phenyl-4,4-bis(trifluoromethyl)-1H-s-triazine-3,5-diium-2-yl]benzonitrile Formula: C18H12F6N4+2 MolecularWeight: 398.305099

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[NH+]C([NH+]=C(N2)C3=CC=C(C=C3)C#N)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=[NH+]C([NH+]=C(N2)C3=CC=C(C=C3)C#N)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H10F6N4/c19-17(20,21)16(18(22,23)24)27-14(12-4-2-1-3-5-12)26-15(28-16)13-8-6-11(10-25)7-9-13/h1-9H,(H,26,27,28)/p+2