carbon monoxide; cobalt; 10-phenyldeca-2,8-diynylbenzene; ditetrafluoroborate

Systemtic Name: carbon monoxide; cobalt; 10-phenyldeca-2,8-diynylbenzene; ditetrafluoroborate Openeye Name: carbon monoxide; cobalt; 10-phenyldeca-2,8-diynylbenzene; ditetrafluoroborate CAS Name: carbon monoxide; cobalt; 10-phenyldeca-2,8-diynylbenzene; ditetrafluoroborate IUPAC Name: carbon monoxide; cobalt; 10-phenyldeca-2,8-diynylbenzene; ditetrafluoroborate Traditional Name: carbon monoxide; cobalt; 10-phenyldeca-2,8-diynylbenzene; ditetrafluoroborate Formula: C34H20B2Co4F8O12 MolecularWeight: 1029.857426

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

InChI

InChI=1S/C22H20.12CO.2BF4.4Co/c1(3-5-9-15-21-17-11-7-12-18-21)2-4-6-10-16-22-19-13-8-14-20-22;12*1-2;2*2-1(3,4)5;;;;/h7-8,11-20H,1-4H2;;;;;;;;;;;;;;;;;;/q+2;;;;;;;;;;;;;2*-1;;;;