1-tert-butyl-4-(2-isocyanatoethynyl)benzene; carbon monoxide; cobalt

Systemtic Name: 1-tert-butyl-4-(2-isocyanatoethynyl)benzene; carbon monoxide; cobalt Openeye Name: 1-tert-butyl-4-(2-isocyanatoethynyl)benzene; carbon monoxide; cobalt CAS Name: 1-tert-butyl-4-(2-isocyanatoethynyl)benzene; carbon monoxide; cobalt IUPAC Name: 1-tert-butyl-4-(2-isocyanatoethynyl)benzene; carbon monoxide; cobalt Traditional Name: 1-tert-butyl-4-(2-isocyanatoethynyl)benzene; carbon monoxide; cobalt Formula: C19H13Co2NO7 MolecularWeight: 485.17542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO.6CO.2Co/c1-13(2,3)12-6-4-11(5-7-12)8-9-14-10-15;6*1-2;;/h4-7H,1-3H3;;;;;;;;