carbon monoxide; cobalt; (4E)-4-ethylidene-2-(2-methylbut-3-yn-2-yl)cyclohexan-1-one

Systemtic Name: carbon monoxide; cobalt; (4E)-4-ethylidene-2-(2-methylbut-3-yn-2-yl)cyclohexan-1-one Openeye Name: carbon monoxide; cobalt; (4E)-2-(1,1-dimethylprop-2-ynyl)-4-ethylidene-cyclohexanone CAS Name: carbon monoxide; cobalt; (4E)-4-ethylidene-2-(2-methylbut-3-yn-2-yl)-1-cyclohexanone IUPAC Name: carbon monoxide; cobalt; (4E)-4-ethylidene-2-(2-methylbut-3-yn-2-yl)cyclohexan-1-one Traditional Name: carbon monoxide; cobalt; (4E)-2-(1,1-dimethylprop-2-ynyl)-4-ethylidene-cyclohexanone Formula: C25H18Co2O13 MolecularWeight: 644.26902

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Descriptors Computed from Structure

Canonical SMILES:

CC=C1CCC(=O)C(C1)C(C)(C)C#C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]

Isomeric SMILES

C/C=C/1\CCC(=O)C(C1)C(C)(C)C#C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]

InChI

InChI=1S/C13H18O.12CO.2Co/c1-5-10-7-8-12(14)11(9-10)13(3,4)6-2;12*1-2;;/h2,5,11H,7-9H2,1,3-4H3;;;;;;;;;;;;;;/b10-5+;;;;;;;;;;;;;;