carbon monoxide; cobalt; 8-phenylocta-2,6-diynylbenzene; ditetrafluoroborate

Systemtic Name: carbon monoxide; cobalt; 8-phenylocta-2,6-diynylbenzene; ditetrafluoroborate Openeye Name: carbon monoxide; cobalt; 8-phenylocta-2,6-diynylbenzene; ditetrafluoroborate CAS Name: carbon monoxide; cobalt; 8-phenylocta-2,6-diynylbenzene; ditetrafluoroborate IUPAC Name: carbon monoxide; cobalt; 8-phenylocta-2,6-diynylbenzene; ditetrafluoroborate Traditional Name: carbon monoxide; cobalt; 8-phenylocta-2,6-diynylbenzene; ditetrafluoroborate Formula: C32H16B2Co4F8O12 MolecularWeight: 1001.804266

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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#CCCC#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#CCCC#C[CH+]C2=CC=CC=C2.[Co].[Co].[Co].[Co]

InChI

InChI=1S/C20H16.12CO.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;;;;/h5-6,9-18H,1-2H2;;;;;;;;;;;;;;;;;;/q+2;;;;;;;;;;;;;2*-1;;;;