carbon monoxide; ethane; ruthenium(2+); tris(fluoranyl)methanesulfonate; tetrahydrate

Systemtic Name: carbon monoxide; ethane; ruthenium(2+); tris(fluoranyl)methanesulfonate; tetrahydrate Openeye Name: carbon monoxide; ethane; ruthenium(2+); trifluoromethanesulfonate; tetrahydrate CAS Name: carbon monoxide; ethane; ruthenium(2+); trifluoromethanesulfonate; tetrahydrate IUPAC Name: carbon monoxide; ethane; ruthenium(2+); trifluoromethanesulfonate; tetrahydrate Traditional Name: carbon monoxide; ethane; ruthenium(2+); ditriflate; tetrahydrate Formula: C10H18F6O14Ru2S2 MolecularWeight: 742.501939

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Descriptors Computed from Structure

Canonical SMILES:

C[CH2-].C[CH2-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].O.O.O.O.[Ru+2].[Ru+2]

Isomeric SMILES

C[CH2-].C[CH2-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].O.O.O.O.[Ru+2].[Ru+2]

InChI

InChI=1S/2C2H5.2CHF3O3S.4CO.4H2O.2Ru/c2*1-2;2*2-1(3,4)8(5,6)7;4*1-2;;;;;;/h2*1H2,2H3;2*(H,5,6,7);;;;;4*1H2;;/q2*-1;;;;;;;;;;;2*+2/p-2