(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladium(2+); dichloride

Systemtic Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladium(2+); dichloride Openeye Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladium(2+); dichloride CAS Name: (1E,4E)-1,5-diphenyl-3-penta-1,4-dienone; palladium(2+); dichloride IUPAC Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladium(2+); dichloride Traditional Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladium(2+); dichloride Formula: C51H42Cl2O3Pd3+4 MolecularWeight: 1093.04338

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Descriptors Computed from Structure

Canonical SMILES:

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.[Cl-].[Cl-].[Pd+2].[Pd+2].[Pd+2]

Isomeric SMILES

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.[Cl-].[Cl-].[Pd+2].[Pd+2].[Pd+2]

InChI

InChI=1S/3C17H14O.2ClH.3Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;;;;/h3*1-14H;2*1H;;;/q;;;;;3*+2/p-2/b3*13-11+,14-12+;;;;;