1,3-bis(trifluoromethyl)benzene-5-ide; bromanylpalladium(1+); triphenylphosphane

Systemtic Name: 1,3-bis(trifluoromethyl)benzene-5-ide; bromanylpalladium(1+); triphenylphosphane Openeye Name: 1,3-bis(trifluoromethyl)benzene-5-ide; bromopalladium(1+); triphenylphosphane CAS Name: 1,3-bis(trifluoromethyl)benzene-5-ide; bromopalladium(1+); triphenylphosphine IUPAC Name: 1,3-bis(trifluoromethyl)benzene-5-ide; bromopalladium(1+); triphenylphosphane Traditional Name: 1,3-bis(trifluoromethyl)benzene-5-ide; bromopalladium(1+); triphenylphosphine Formula: C44H33BrF6P2Pd MolecularWeight: 923.994761

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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.C1=[C-]C=C(C=C1C(F)(F)F)C(F)(F)F.Br[Pd+]

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.C1=[C-]C=C(C=C1C(F)(F)F)C(F)(F)F.Br[Pd+]

InChI

InChI=1S/2C18H15P.C8H3F6.BrH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;9-7(10,11)5-2-1-3-6(4-5)8(12,13)14;;/h2*1-15H;2-4H;1H;/q;;-1;;+2/p-1