iron(3+); (Z)-3-oxidanylidene-1-phenyl-but-1-en-1-olate

Systemtic Name: iron(3+); (Z)-3-oxidanylidene-1-phenyl-but-1-en-1-olate Openeye Name: ferric (Z)-3-oxo-1-phenyl-but-1-en-1-olate CAS Name: iron(3+); (Z)-3-oxo-1-phenyl-1-buten-1-olate IUPAC Name: iron(3+); (Z)-3-oxo-1-phenylbut-1-en-1-olate Traditional Name: ferric (Z)-3-keto-1-phenyl-but-1-en-1-olate Formula: C30H27FeO6 MolecularWeight: 539.37678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C10H10O2.Fe/c3*1-8(11)7-10(12)9-5-3-2-4-6-9;/h3*2-7,12H,1H3;/q;;;+3/p-3/b3*10-7-;