benzene; 4,5-dihydro-1,3-oxazol-2-olate; (5-diphenylphosphanyl-9,9-dimethyl-xanthen-4-yl)-diphenyl-phosphane; palladium(2+)

Systemtic Name: benzene; 4,5-dihydro-1,3-oxazol-2-olate; (5-diphenylphosphanyl-9,9-dimethyl-xanthen-4-yl)-diphenyl-phosphane; palladium(2+) Openeye Name: benzene; 4,5-dihydrooxazol-2-olate; (5-diphenylphosphanyl-9,9-dimethyl-xanthen-4-yl)-diphenyl-phosphane; palladium(2+) CAS Name: benzene; 4,5-dihydrooxazol-2-olate; (5-diphenylphosphino-9,9-dimethyl-4-xanthenyl)-diphenylphosphine; palladium(2+) IUPAC Name: benzene; 4,5-dihydro-1,3-oxazol-2-olate; (5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane; palladium(2+) Traditional Name: benzene; (5-diphenylphosphino-9,9-dimethyl-xanthen-4-yl)-diphenyl-phosphine; 2-oxazolin-2-olate; palladium(2+) Formula: C48H41NO3P2Pd MolecularWeight: 848.211562

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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.C1COC(=N1)[O-].C1=CC=[C-]C=C1.[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.C1COC(=N1)[O-].C1=CC=[C-]C=C1.[Pd+2]

InChI

InChI=1S/C39H32OP2.C6H5.C3H5NO2.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;5-3-4-1-2-6-3;/h3-28H,1-2H3;1-5H;1-2H2,(H,4,5);/q;-1;;+2/p-1