(2R,3S)-2-[(1E)-buta-1,3-dienyl]-3-(chloromethyl)-1,4-dioxane; carbon monoxide; iron

Systemtic Name: (2R,3S)-2-[(1E)-buta-1,3-dienyl]-3-(chloromethyl)-1,4-dioxane; carbon monoxide; iron Openeye Name: (2R,3S)-2-[(1E)-buta-1,3-dienyl]-3-(chloromethyl)-1,4-dioxane; carbon monoxide; iron CAS Name: (2R,3S)-2-[(1E)-buta-1,3-dienyl]-3-(chloromethyl)-1,4-dioxane; carbon monoxide; iron IUPAC Name: (2R,3S)-2-[(1E)-buta-1,3-dienyl]-3-(chloromethyl)-1,4-dioxane; carbon monoxide; iron Traditional Name: (2R,3S)-2-[(1E)-buta-1,3-dienyl]-3-(chloromethyl)-1,4-dioxane; carbon monoxide; iron Formula: C12H13ClFeO5 MolecularWeight: 328.52662

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Descriptors Computed from Structure

Canonical SMILES:

C=CC=CC1C(OCCO1)CCl.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

C=C/C=C/[C@@H]1[C@H](OCCO1)CCl.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C9H13ClO2.3CO.Fe/c1-2-3-4-8-9(7-10)12-6-5-11-8;3*1-2;/h2-4,8-9H,1,5-7H2;;;;/b4-3+;;;;/t8-,9-;;;;/m1..../s1