carbon monoxide; cyclopenta-2,4-dien-1-ylbenzene; cyclopentane; iron(2+); methylsulfanylmethylideneiron

Systemtic Name: carbon monoxide; cyclopenta-2,4-dien-1-ylbenzene; cyclopentane; iron(2+); methylsulfanylmethylideneiron Openeye Name: ferrous; carbon monoxide; cyclopenta-2,4-dien-1-ylbenzene; cyclopentane; methylsulfanylmethyleneiron CAS Name: carbon monoxide; 1-cyclopenta-2,4-dienylbenzene; cyclopentane; iron(2+); (methylthio)methylideneiron IUPAC Name: carbon monoxide; cyclopenta-2,4-dien-1-ylbenzene; cyclopentane; iron(2+); methylsulfanylmethylideneiron Traditional Name: ferrous; carbon monoxide; cyclopenta-2,4-dien-1-ylbenzene; cyclopentane; (methylthio)methyleneiron Formula: C21H18Fe2O3S+ MolecularWeight: 462.12082

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Descriptors Computed from Structure

Canonical SMILES:

CS[C-]=[Fe].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)C2C=CC=C2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CS[C-]=[Fe].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)C2C=CC=C2.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C11H10.C5H5.C2H3S.3CO.2Fe/c1-2-6-10(7-3-1)11-8-4-5-9-11;1-2-4-5-3-1;1-3-2;3*1-2;;/h1-9,11H;1-5H;1H3;;;;;/q;;-1;;;;;+2