carbon monoxide; cobalt; 1,3-diphenyl-3-(trifluoromethyl)non-4-yn-1-one

Systemtic Name: carbon monoxide; cobalt; 1,3-diphenyl-3-(trifluoromethyl)non-4-yn-1-one Openeye Name: carbon monoxide; cobalt; 1,3-diphenyl-3-(trifluoromethyl)non-4-yn-1-one CAS Name: carbon monoxide; cobalt; 1,3-diphenyl-3-(trifluoromethyl)-4-nonyn-1-one IUPAC Name: carbon monoxide; cobalt; 1,3-diphenyl-3-(trifluoromethyl)non-4-yn-1-one Traditional Name: carbon monoxide; cobalt; 1,3-diphenyl-3-(trifluoromethyl)non-4-yn-1-one Formula: C28H21Co2F3O7 MolecularWeight: 644.32375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21F3O.6CO.2Co/c1-2-3-4-11-16-21(22(23,24)25,19-14-9-6-10-15-19)17-20(26)18-12-7-5-8-13-18;6*1-2;;/h5-10,12-15H,2-4,17H2,1H3;;;;;;;;