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: C22H29Fe2O4S+ MolecularWeight: 501.21826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS[CH2-].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1CCCC1.C1CCC(C1)C(=O)C2=CC=CC=C2.[Fe].[Fe+2]

Isomeric SMILES

CS[CH2-].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1CCCC1.C1CCC(C1)C(=O)C2=CC=CC=C2.[Fe].[Fe+2]

InChI

InChI=1S/C12H14O.C5H10.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;;/h1-3,6-7,11H,4-5,8-9H2;1-5H2;1H2,2H3;;;;;/q;;-1;;;;;+2