(E)-but-2-en-1-one; carbon monoxide; cyclopenta-1,3-diene; iron(6+)

Systemtic Name: (E)-but-2-en-1-one; carbon monoxide; cyclopenta-1,3-diene; iron(6+) Openeye Name: (E)-but-2-en-1-one; carbon monoxide; cyclopenta-1,3-diene; iron(6+) CAS Name: (E)-2-buten-1-one; carbon monoxide; cyclopenta-1,3-diene; iron(6+) IUPAC Name: (E)-but-2-en-1-one; carbon monoxide; cyclopenta-1,3-diene; iron(6+) Traditional Name: (E)-but-2-en-1-one; carbon monoxide; cyclopenta-1,3-diene; iron(6+) Formula: C11H10FeO3+4 MolecularWeight: 246.0403

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Descriptors Computed from Structure

Canonical SMILES:

CC=C[C-]=O.[C-]#[O+].[C-]#[O+].[CH-]1C=CC=C1.[Fe+6]

Isomeric SMILES

C/C=C/[C-]=O.[C-]#[O+].[C-]#[O+].[CH-]1C=CC=C1.[Fe+6]

InChI

InChI=1S/C5H5.C4H5O.2CO.Fe/c1-2-4-5-3-1;1-2-3-4-5;2*1-2;/h1-5H;2-3H,1H3;;;/q2*-1;;;+6/b;3-2+;;;