(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; (5-diphenylphosphanyl-9,9-dimethyl-xanthen-4-yl)-diphenyl-phosphane; palladium

Systemtic Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; (5-diphenylphosphanyl-9,9-dimethyl-xanthen-4-yl)-diphenyl-phosphane; palladium Openeye Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; (5-diphenylphosphanyl-9,9-dimethyl-xanthen-4-yl)-diphenyl-phosphane; palladium CAS Name: (1E,4E)-1,5-diphenyl-3-penta-1,4-dienone; (5-diphenylphosphino-9,9-dimethyl-4-xanthenyl)-diphenylphosphine; palladium IUPAC Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; (5-diphenylphosphanyl-9,9-dimethylxanthen-4-yl)-diphenylphosphane; palladium Traditional Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; (5-diphenylphosphino-9,9-dimethyl-xanthen-4-yl)-diphenyl-phosphine; palladium Formula: C90H74O4P2Pd2 MolecularWeight: 1494.335682

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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=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd]

Isomeric SMILES

CC1(C2=C(OC3=C1C=CC=C3P(C4=CC=CC=C4)C5=CC=CC=C5)C(=CC=C2)P(C6=CC=CC=C6)C7=CC=CC=C7)C.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.[Pd].[Pd]

InChI

InChI=1S/C39H32OP2.3C17H14O.2Pd/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;3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h3-28H,1-2H3;3*1-14H;;/b;3*13-11+,14-12+;;