carbon monoxide; cyclopentane; iron; methylsulfanylmethane; tris(fluoranyl)methanesulfonate

Systemtic Name: carbon monoxide; cyclopentane; iron; methylsulfanylmethane; tris(fluoranyl)methanesulfonate Openeye Name: carbon monoxide; cyclopentane; iron; methylsulfanylmethane; trifluoromethanesulfonate CAS Name: carbon monoxide; cyclopentane; iron; (methylthio)methane; trifluoromethanesulfonate IUPAC Name: carbon monoxide; cyclopentane; iron; methylsulfanylmethane; trifluoromethanesulfonate Traditional Name: carbon monoxide; cyclopentane; iron; (methylthio)methane; triflate Formula: C16H15F3Fe2O6S2 MolecularWeight: 536.10191

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Descriptors Computed from Structure

Canonical SMILES:

CS[CH2+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.C(F)(F)(F)S(=O)(=O)[O-].[Fe].[Fe]

Isomeric SMILES

CS[CH2+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.C(F)(F)(F)S(=O)(=O)[O-].[Fe].[Fe]

InChI

InChI=1S/2C5H5.C2H5S.CHF3O3S.3CO.2Fe/c2*1-2-4-5-3-1;1-3-2;2-1(3,4)8(5,6)7;3*1-2;;/h2*1-5H;1H2,2H3;(H,5,6,7);;;;;/q;;+1;;;;;;/p-1