carbon monoxide; cobalt; [(Z)-8-phenyloct-4-en-2,6-diynyl]benzene; ditetrafluoroborate

Systemtic Name: carbon monoxide; cobalt; [(Z)-8-phenyloct-4-en-2,6-diynyl]benzene; ditetrafluoroborate Openeye Name: carbon monoxide; cobalt; [(Z)-8-phenyloct-4-en-2,6-diynyl]benzene; ditetrafluoroborate CAS Name: carbon monoxide; cobalt; [(Z)-8-phenyloct-4-en-2,6-diynyl]benzene; ditetrafluoroborate IUPAC Name: carbon monoxide; cobalt; [(Z)-8-phenyloct-4-en-2,6-diynyl]benzene; ditetrafluoroborate Traditional Name: carbon monoxide; cobalt; [(Z)-8-phenyloct-4-en-2,6-diynyl]benzene; ditetrafluoroborate Formula: C32H14B2Co4F8O12 MolecularWeight: 999.788386

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.[B-](F)(F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)[CH+]C#CC=CC#C[CH+]C2=CC=CC=C2.[Co].[Co].[Co].[Co]

Isomeric SMILES

[B-](F)(F)(F)F.[B-](F)(F)(F)F.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)[CH+]C#C/C=C\C#C[CH+]C2=CC=CC=C2.[Co].[Co].[Co].[Co]

InChI

InChI=1S/C20H14.12CO.2BF4.4Co/c1(3-7-13-19-15-9-5-10-16-19)2-4-8-14-20-17-11-6-12-18-20;12*1-2;2*2-1(3,4)5;;;;/h1-2,5-6,9-18H;;;;;;;;;;;;;;;;;;/q+2;;;;;;;;;;;;;2*-1;;;;/b2-1-;;;;;;;;;;;;;;;;;;