carbon monoxide; 2-cyclohexylethynylbenzene; iron(2+); hexafluorophosphate

Systemtic Name: carbon monoxide; 2-cyclohexylethynylbenzene; iron(2+); hexafluorophosphate Openeye Name: ferrous; carbon monoxide; 2-cyclohexylethynylbenzene; hexafluorophosphate CAS Name: carbon monoxide; 2-cyclohexylethynylbenzene; iron(2+); hexafluorophosphate IUPAC Name: carbon monoxide; 2-cyclohexylethynylbenzene; iron(2+); hexafluorophosphate Traditional Name: ferrous; carbon monoxide; 2-cyclohexylethynylbenzene; hexafluorophosphate Formula: C17H11F6FeO3P+ MolecularWeight: 464.07662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].[C-]#[O+].C1[CH][CH][CH][CH][C]1C#CC2=CC=CC=C2.F[P-](F)(F)(F)(F)F.[Fe+2]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].[C-]#[O+].C1[CH][CH][CH][CH][C]1C#CC2=CC=CC=C2.F[P-](F)(F)(F)(F)F.[Fe+2]

InChI

InChI=1S/C14H11.3CO.F6P.Fe/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;3*1-2;1-7(2,3,4,5)6;/h1-9H,10H2;;;;;/q;;;;-1;+2