carbon monoxide; 1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-yl-but-2-yn-1-ol; cobalt

Systemtic Name: carbon monoxide; 1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-yl-but-2-yn-1-ol; cobalt Openeye Name: carbon monoxide; 1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-yl-but-2-yn-1-ol; cobalt CAS Name: carbon monoxide; 1-(4-chlorophenyl)-1-phenyl-4-(1-pyrrolidinyl)-2-butyn-1-ol; cobalt IUPAC Name: carbon monoxide; 1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol; cobalt Traditional Name: carbon monoxide; 1-(4-chlorophenyl)-1-phenyl-4-pyrrolidino-but-2-yn-1-ol; cobalt Formula: C26H20ClCo2NO7 MolecularWeight: 611.7589

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1CCN(C1)CC#CC(C2=CC=CC=C2)(C3=CC=C(C=C3)Cl)O.[Co].[Co]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1CCN(C1)CC#CC(C2=CC=CC=C2)(C3=CC=C(C=C3)Cl)O.[Co].[Co]

InChI

InChI=1S/C20H20ClNO.6CO.2Co/c21-19-11-9-18(10-12-19)20(23,17-7-2-1-3-8-17)13-6-16-22-14-4-5-15-22;6*1-2;;/h1-3,7-12,23H,4-5,14-16H2;;;;;;;;