carbon monoxide; cyclopentane; iron(2+); methylsulfanylmethylideneiron; 5-propan-2-ylcyclopenta-1,3-diene

Systemtic Name: carbon monoxide; cyclopentane; iron(2+); methylsulfanylmethylideneiron; 5-propan-2-ylcyclopenta-1,3-diene Openeye Name: ferrous; carbon monoxide; cyclopentane; 5-isopropylcyclopenta-1,3-diene; methylsulfanylmethyleneiron CAS Name: carbon monoxide; cyclopentane; iron(2+); (methylthio)methylideneiron; 5-propan-2-ylcyclopenta-1,3-diene IUPAC Name: carbon monoxide; cyclopentane; iron(2+); methylsulfanylmethylideneiron; 5-propan-2-ylcyclopenta-1,3-diene Traditional Name: ferrous; carbon monoxide; cyclopentane; 5-isopropylcyclopenta-1,3-diene; (methylthio)methyleneiron Formula: C18H20Fe2O3S+ MolecularWeight: 428.1046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C=CC=C1.CS[C-]=[Fe].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CC(C)C1C=CC=C1.CS[C-]=[Fe].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C8H12.C5H5.C2H3S.3CO.2Fe/c1-7(2)8-5-3-4-6-8;1-2-4-5-3-1;1-3-2;3*1-2;;/h3-8H,1-2H3;1-5H;1H3;;;;;/q;;-1;;;;;+2