benzene; (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladium

Systemtic Name: benzene; (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladium Openeye Name: benzene; (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladium CAS Name: benzene; (1E,4E)-1,5-diphenyl-3-penta-1,4-dienone; palladium IUPAC Name: benzene; (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladium Traditional Name: benzene; (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladium Formula: C57H48O3Pd2 MolecularWeight: 993.82922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=CC=C1.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

C1=CC=CC=C1.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/3C17H14O.C6H6.2Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;1-2-4-6-5-3-1;;/h3*1-14H;1-6H;;/b3*13-11+,14-12+;;;