carbon monoxide; iron; [(1S)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl] (2E,4E)-hexa-2,4-dienoate

Systemtic Name: carbon monoxide; iron; [(1S)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl] (2E,4E)-hexa-2,4-dienoate Openeye Name: carbon monoxide; iron; [(1S)-2-methoxy-2-oxo-1-phenyl-ethyl] (2E,4E)-hexa-2,4-dienoate CAS Name: carbon monoxide; (2E,4E)-hexa-2,4-dienoic acid [(1S)-2-methoxy-2-oxo-1-phenylethyl] ester; iron IUPAC Name: carbon monoxide; iron; [(1S)-2-methoxy-2-oxo-1-phenylethyl] (2E,4E)-hexa-2,4-dienoate Traditional Name: carbon monoxide; (2E,4E)-hexa-2,4-dienoic acid [(1S)-2-keto-2-methoxy-1-phenyl-ethyl] ester; iron Formula: C18H16FeO7 MolecularWeight: 400.16044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/C=C/C(=O)O[C@@H](C1=CC=CC=C1)C(=O)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C15H16O4.3CO.Fe/c1-3-4-6-11-13(16)19-14(15(17)18-2)12-9-7-5-8-10-12;3*1-2;/h3-11,14H,1-2H3;;;;/b4-3+,11-6+;;;;/t14-;;;;/m0..../s1