1-(4-bromophenyl)-1-phenyl-4-pyrrolidin-1-yl-but-2-yn-1-ol; carbon monoxide; cobalt(3+)

Systemtic Name: 1-(4-bromophenyl)-1-phenyl-4-pyrrolidin-1-yl-but-2-yn-1-ol; carbon monoxide; cobalt(3+) Openeye Name: dicobaltic; 1-(4-bromophenyl)-1-phenyl-4-pyrrolidin-1-yl-but-2-yn-1-ol; carbon monoxide CAS Name: 1-(4-bromophenyl)-1-phenyl-4-(1-pyrrolidinyl)-2-butyn-1-ol; carbon monoxide; cobalt(3+) IUPAC Name: 1-(4-bromophenyl)-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol; carbon monoxide; cobalt(3+) Traditional Name: dicobaltic; 1-(4-bromophenyl)-1-phenyl-4-pyrrolidino-but-2-yn-1-ol; carbon monoxide Formula: C26H20BrCo2NO7+6 MolecularWeight: 656.2099

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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)Br)O.[Co+3].[Co+3]

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)Br)O.[Co+3].[Co+3]

InChI

InChI=1S/C20H20BrNO.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;;;;;;;;/q;;;;;;;2*+3