azulene; carbon monoxide; cyclopentane; iron; hexafluorophosphate

Systemtic Name: azulene; carbon monoxide; cyclopentane; iron; hexafluorophosphate Openeye Name: azulene; carbon monoxide; cyclopentane; iron; hexafluorophosphate CAS Name: azulene; carbon monoxide; cyclopentane; iron; hexafluorophosphate IUPAC Name: azulene; carbon monoxide; cyclopentane; iron; hexafluorophosphate Traditional Name: azulene; carbon monoxide; cyclopentane; iron; hexafluorophosphate Formula: C20H9F6Fe2O5P- MolecularWeight: 585.93664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H4.C5H5.5CO.F6P.2Fe/c1-2-5-9-7-4-8-10(9)6-3-1;1-2-4-5-3-1;5*1-2;1-7(2,3,4,5)6;;/h4-5,7-8H;1-5H;;;;;;;;/q;;;;;;;-1;;