carbon monoxide; [(2S)-1-ethoxy-1-oxidanylidene-propan-2-yl] (2E,4E)-hexa-2,4-dienoate; iron

Systemtic Name: carbon monoxide; [(2S)-1-ethoxy-1-oxidanylidene-propan-2-yl] (2E,4E)-hexa-2,4-dienoate; iron Openeye Name: carbon monoxide; [(1S)-2-ethoxy-1-methyl-2-oxo-ethyl] (2E,4E)-hexa-2,4-dienoate; iron CAS Name: carbon monoxide; (2E,4E)-hexa-2,4-dienoic acid [(2S)-1-ethoxy-1-oxopropan-2-yl] ester; iron IUPAC Name: carbon monoxide; [(2S)-1-ethoxy-1-oxopropan-2-yl] (2E,4E)-hexa-2,4-dienoate; iron Traditional Name: carbon monoxide; (2E,4E)-hexa-2,4-dienoic acid [(1S)-2-ethoxy-2-keto-1-methyl-ethyl] ester; iron Formula: C14H16FeO7 MolecularWeight: 352.11764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O4.3CO.Fe/c1-4-6-7-8-10(12)15-9(3)11(13)14-5-2;3*1-2;/h4,6-9H,5H2,1-3H3;;;;/b6-4+,8-7+;;;;/t9-;;;;/m0..../s1