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

Systemtic Name: carbon monoxide; cyclopenta-2,4-dien-1-yl(phenyl)methanone; cyclopentane; iron(2+); methylsulfanylmethylideneiron Openeye Name: ferrous; carbon monoxide; cyclopenta-2,4-dien-1-yl(phenyl)methanone; cyclopentane; methylsulfanylmethyleneiron CAS Name: carbon monoxide; 1-cyclopenta-2,4-dienyl(phenyl)methanone; cyclopentane; iron(2+); (methylthio)methylideneiron IUPAC Name: carbon monoxide; cyclopenta-2,4-dien-1-yl(phenyl)methanone; cyclopentane; iron(2+); methylsulfanylmethylideneiron Traditional Name: ferrous; carbon monoxide; cyclopenta-2,4-dien-1-yl(phenyl)methanone; cyclopentane; (methylthio)methyleneiron Formula: C22H23Fe2O4S+ MolecularWeight: 495.17062

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Descriptors Computed from Structure

Canonical SMILES:

CS[C-]=[Fe].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1CCCC1.C1=CC=C(C=C1)C(=O)C2C=CC=C2.[Fe+2]

Isomeric SMILES

CS[C-]=[Fe].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1CCCC1.C1=CC=C(C=C1)C(=O)C2C=CC=C2.[Fe+2]

InChI

InChI=1S/C12H10O.C5H10.C2H3S.3CO.2Fe/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10;1-2-4-5-3-1;1-3-2;3*1-2;;/h1-9,11H;1-5H2;1H3;;;;;/q;;-1;;;;;+2