carbon monoxide; cyclopentane; cyclopentyl(phenyl)methanone; iron; iron(2+); methanidylsulfanylmethane

Systemtic Name: carbon monoxide; cyclopentane; cyclopentyl(phenyl)methanone; iron; iron(2+); methanidylsulfanylmethane Openeye Name: ferrous; carbon monoxide; cyclopentane; cyclopentyl(phenyl)methanone; iron; methanidylsulfanylmethane CAS Name: carbon monoxide; cyclopentane; cyclopentyl(phenyl)methanone; iron; iron(2+); (methanidylthio)methane IUPAC Name: carbon monoxide; cyclopentane; cyclopentyl(phenyl)methanone; iron; iron(2+); methanidylsulfanylmethane Traditional Name: ferrous; carbon monoxide; cyclopentane; cyclopentyl(phenyl)methanone; iron; (methanidylthio)methane Formula: C22H19Fe2O4S+ MolecularWeight: 491.13886

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Descriptors Computed from Structure

Canonical SMILES:

CS[CH2-].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)C(=O)[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe].[Fe+2]

Isomeric SMILES

CS[CH2-].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)C(=O)[C]2[CH][CH][CH][CH]2.[CH]1[CH][CH][CH][CH]1.[Fe].[Fe+2]

InChI

InChI=1S/C12H9O.C5H5.C2H5S.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;;/h1-9H;1-5H;1H2,2H3;;;;;/q;;-1;;;;;+2