1,3-bis(trifluoromethyl)benzene-5-ide; bromanylpalladium(1+); tris(2-methylphenyl)phosphanium

Systemtic Name: 1,3-bis(trifluoromethyl)benzene-5-ide; bromanylpalladium(1+); tris(2-methylphenyl)phosphanium Openeye Name: 1,3-bis(trifluoromethyl)benzene-5-ide; bromopalladium(1+); tris-o-tolylphosphonium CAS Name: 1,3-bis(trifluoromethyl)benzene-5-ide; bromopalladium(1+); tris(2-methylphenyl)phosphonium IUPAC Name: 1,3-bis(trifluoromethyl)benzene-5-ide; bromopalladium(1+); tris(2-methylphenyl)phosphanium Traditional Name: 1,3-bis(trifluoromethyl)benzene-5-ide; bromopalladium(1+); tris-o-tolylphosphonium Formula: C50H47BrF6P2Pd+2 MolecularWeight: 1010.170121

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[PH+](C2=CC=CC=C2C)C3=CC=CC=C3C.CC1=CC=CC=C1[PH+](C2=CC=CC=C2C)C3=CC=CC=C3C.C1=[C-]C=C(C=C1C(F)(F)F)C(F)(F)F.Br[Pd+]

Isomeric SMILES

CC1=CC=CC=C1[PH+](C2=CC=CC=C2C)C3=CC=CC=C3C.CC1=CC=CC=C1[PH+](C2=CC=CC=C2C)C3=CC=CC=C3C.C1=[C-]C=C(C=C1C(F)(F)F)C(F)(F)F.Br[Pd+]

InChI

InChI=1S/2C21H21P.C8H3F6.BrH.Pd/c2*1-16-10-4-7-13-19(16)22(20-14-8-5-11-17(20)2)21-15-9-6-12-18(21)3;9-7(10,11)5-2-1-3-6(4-5)8(12,13)14;;/h2*4-15H,1-3H3;2-4H;1H;/q;;-1;;+2/p+1