(E)-1-ethoxy-3-oxidanylidene-but-1-en-1-olate; iron(3+)

Systemtic Name: (E)-1-ethoxy-3-oxidanylidene-but-1-en-1-olate; iron(3+) Openeye Name: ferric (E)-1-ethoxy-3-oxo-but-1-en-1-olate CAS Name: (E)-1-ethoxy-3-oxo-1-buten-1-olate; iron(3+) IUPAC Name: (E)-1-ethoxy-3-oxobut-1-en-1-olate; iron(3+) Traditional Name: ferric (E)-1-ethoxy-3-keto-but-1-en-1-olate Formula: C18H27FeO9 MolecularWeight: 443.24658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCO/C(=C/C(=O)C)/[O-].CCO/C(=C/C(=O)C)/[O-].CCO/C(=C/C(=O)C)/[O-].[Fe+3]

InChI

InChI=1S/3C6H10O3.Fe/c3*1-3-9-6(8)4-5(2)7;/h3*4,8H,3H2,1-2H3;/q;;;+3/p-3/b3*6-4+;