1,3-diphenylpropane-1,3-dione; iron(3+)

Systemtic Name: 1,3-diphenylpropane-1,3-dione; iron(3+) Openeye Name: ferric 1,3-diphenylpropane-1,3-dione CAS Name: 1,3-diphenylpropane-1,3-dione; iron(3+) IUPAC Name: 1,3-diphenylpropane-1,3-dione; iron(3+) Traditional Name: ferric 1,3-diphenylpropane-1,3-dione Formula: C45H36FeO6+3 MolecularWeight: 728.60874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2.[Fe+3]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2.[Fe+3]

InChI

InChI=1S/3C15H12O2.Fe/c3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;/h3*1-10H,11H2;/q;;;+3