iron(3+); (E)-3-oxidanylidene-1,3-diphenyl-prop-1-en-1-olate

Systemtic Name: iron(3+); (E)-3-oxidanylidene-1,3-diphenyl-prop-1-en-1-olate Openeye Name: ferric (E)-3-oxo-1,3-diphenyl-prop-1-en-1-olate CAS Name: iron(3+); (E)-3-oxo-1,3-diphenyl-1-propen-1-olate IUPAC Name: iron(3+); (E)-3-oxo-1,3-diphenylprop-1-en-1-olate Traditional Name: ferric (E)-3-keto-1,3-diphenyl-prop-1-en-1-olate Formula: C45H33FeO6 MolecularWeight: 725.58492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)/C(=C\C(=O)C2=CC=CC=C2)/[O-].C1=CC=C(C=C1)/C(=C\C(=O)C2=CC=CC=C2)/[O-].C1=CC=C(C=C1)/C(=C\C(=O)C2=CC=CC=C2)/[O-].[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*1-11,16H;/q;;;+3/p-3/b3*14-11+;