1,5-diphenylpentan-3-one; iron

Systemtic Name: 1,5-diphenylpentan-3-one; iron Openeye Name: 1,5-diphenylpentan-3-one; iron CAS Name: 1,5-diphenyl-3-pentanone; iron IUPAC Name: 1,5-diphenylpentan-3-one; iron Traditional Name: 1,5-diphenylpentan-3-one; iron Formula: C51H42FeO3 MolecularWeight: 758.72238

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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.[Fe]

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.[Fe]

InChI

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