cyclohexane; 1,5-diphenylpentan-3-one; palladium

Systemtic Name: cyclohexane; 1,5-diphenylpentan-3-one; palladium Openeye Name: cyclohexane; 1,5-diphenylpentan-3-one; palladium CAS Name: cyclohexane; 1,5-diphenyl-3-pentanone; palladium IUPAC Name: cyclohexane; 1,5-diphenylpentan-3-one; palladium Traditional Name: cyclohexane; 1,5-diphenylpentan-3-one; palladium Formula: C57H48O3Pd2 MolecularWeight: 993.82922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[CH][CH]C(=O)[CH][CH]C2=CC=CC=C2.C1=CC=C(C=C1)[CH][CH]C(=O)[CH][CH]C2=CC=CC=C2.C1=CC=C(C=C1)[CH][CH]C(=O)[CH][CH]C2=CC=CC=C2.[CH]1[CH][CH][CH][CH][CH]1.[Pd].[Pd]

Isomeric SMILES

C1=CC=C(C=C1)[CH][CH]C(=O)[CH][CH]C2=CC=CC=C2.C1=CC=C(C=C1)[CH][CH]C(=O)[CH][CH]C2=CC=CC=C2.C1=CC=C(C=C1)[CH][CH]C(=O)[CH][CH]C2=CC=CC=C2.[CH]1[CH][CH][CH][CH][CH]1.[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;;