benzene; (5-diphenylphosphanyl-9,9-dimethyl-xanthen-4-yl)-diphenyl-phosphane; palladium(2+); tris(fluoranyl)methane

Systemtic Name: benzene; (5-diphenylphosphanyl-9,9-dimethyl-xanthen-4-yl)-diphenyl-phosphane; palladium(2+); tris(fluoranyl)methane Openeye Name: benzene; (5-diphenylphosphanyl-9,9-dimethyl-xanthen-4-yl)-diphenyl-phosphane; palladium(2+); trifluoromethane CAS Name: benzene; (5-diphenylphosphino-9,9-dimethyl-4-xanthenyl)-diphenylphosphine; palladium(2+); trifluoromethane IUPAC Name: benzene; (5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane; palladium(2+); trifluoromethane Traditional Name: benzene; (5-diphenylphosphino-9,9-dimethyl-xanthen-4-yl)-diphenyl-phosphine; palladium(2+); trifluoromethane Formula: C46H37F3OP2Pd MolecularWeight: 831.148112

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C.C1=CC=[C-]C=C1.[C-](F)(F)F.[Pd+2]

Isomeric SMILES

CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C.C1=CC=[C-]C=C1.[C-](F)(F)F.[Pd+2]

InChI

InChI=1S/C39H32OP2.C6H5.CF3.Pd/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;1-2-4-6-5-3-1;2-1(3)4;/h3-28H,1-2H3;1-5H;;/q;2*-1;+2