benzene; carbon monoxide; iron(2+); 3-phenylprop-2-enal

Systemtic Name: benzene; carbon monoxide; iron(2+); 3-phenylprop-2-enal Openeye Name: ferrous; benzene; carbon monoxide; 3-phenylprop-2-enal CAS Name: benzene; carbon monoxide; iron(2+); 3-phenyl-2-propenal IUPAC Name: benzene; carbon monoxide; iron(2+); 3-phenylprop-2-enal Traditional Name: ferrous; benzene; carbon monoxide; 3-phenylacrolein Formula: C17H12FeO3 MolecularWeight: 320.12038

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].C1=CC=[C-]C=C1.C1=CC=C(C=C1)C=[C-]C=O.[Fe+2]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].C1=CC=[C-]C=C1.C1=CC=C(C=C1)C=[C-]C=O.[Fe+2]

InChI

InChI=1S/C9H7O.C6H5.2CO.Fe/c10-8-4-7-9-5-2-1-3-6-9;1-2-4-6-5-3-1;2*1-2;/h1-3,5-8H;1-5H;;;/q2*-1;;;+2