5-chloranyl-2,6-bis(fluoranyl)-4H-pyrimidin-4-ide; fluoranylnickel; triphenylphosphane

Systemtic Name: 5-chloranyl-2,6-bis(fluoranyl)-4H-pyrimidin-4-ide; fluoranylnickel; triphenylphosphane Openeye Name: 5-chloro-2,6-difluoro-4H-pyrimidin-4-ide; fluoronickel; triphenylphosphane CAS Name: 5-chloro-2,6-difluoro-4H-pyrimidin-4-ide; fluoronickel; triphenylphosphine IUPAC Name: 5-chloro-2,6-difluoro-4H-pyrimidin-4-ide; fluoronickel; triphenylphosphane Traditional Name: 5-chloro-2,6-difluoro-4H-pyrimidin-4-ide; fluoronickel; triphenylphosphine Formula: C40H30ClF3N2NiP2- MolecularWeight: 751.768732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[C-]1=C(C(=NC(=N1)F)F)Cl.F[Ni]

Isomeric SMILES

C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[C-]1=C(C(=NC(=N1)F)F)Cl.F[Ni]

InChI

InChI=1S/2C18H15P.C4ClF2N2.FH.Ni/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;5-2-1-8-4(7)9-3(2)6;;/h2*1-15H;;1H;/q;;-1;;+1/p-1