chloranylpalladium(1+); 1-methyl-3,5-bis(trifluoromethyl)benzene-4-ide; triphenylphosphanium

Systemtic Name: chloranylpalladium(1+); 1-methyl-3,5-bis(trifluoromethyl)benzene-4-ide; triphenylphosphanium Openeye Name: chloropalladium(1+); 1-methyl-3,5-bis(trifluoromethyl)benzene-4-ide; triphenylphosphonium CAS Name: chloropalladium(1+); 1-methyl-3,5-bis(trifluoromethyl)benzene-4-ide; triphenylphosphonium IUPAC Name: chloropalladium(1+); 1-methyl-3,5-bis(trifluoromethyl)benzene-4-ide; triphenylphosphanium Traditional Name: chloropalladium(1+); 1-methyl-3,5-bis(trifluoromethyl)benzene-4-ide; triphenylphosphonium Formula: C45H37ClF6P2Pd+2 MolecularWeight: 895.586221

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[C-]C(=C1)C(F)(F)F)C(F)(F)F.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.Cl[Pd+]

Isomeric SMILES

CC1=CC(=[C-]C(=C1)C(F)(F)F)C(F)(F)F.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.Cl[Pd+]

InChI

InChI=1S/2C18H15P.C9H5F6.ClH.Pd/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-2-6(8(10,11)12)4-7(3-5)9(13,14)15;;/h2*1-15H;2-3H,1H3;1H;/q;;-1;;+2/p+1