carbon monoxide; cobalt(3+); 9-(3-pyrrolidin-1-ylprop-1-ynyl)thioxanthen-9-ol

Systemtic Name: carbon monoxide; cobalt(3+); 9-(3-pyrrolidin-1-ylprop-1-ynyl)thioxanthen-9-ol Openeye Name: dicobaltic; carbon monoxide; 9-(3-pyrrolidin-1-ylprop-1-ynyl)thioxanthen-9-ol CAS Name: carbon monoxide; cobalt(3+); 9-[3-(1-pyrrolidinyl)prop-1-ynyl]-9-thioxanthenol IUPAC Name: carbon monoxide; cobalt(3+); 9-(3-pyrrolidin-1-ylprop-1-ynyl)thioxanthen-9-ol Traditional Name: dicobaltic; carbon monoxide; 9-(3-pyrrolidinoprop-1-ynyl)thioxanthen-9-ol Formula: C26H19Co2NO7S+6 MolecularWeight: 607.36296

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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#CC2(C3=CC=CC=C3SC4=CC=CC=C42)O.[Co+3].[Co+3]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1CCN(C1)CC#CC2(C3=CC=CC=C3SC4=CC=CC=C42)O.[Co+3].[Co+3]

InChI

InChI=1S/C20H19NOS.6CO.2Co/c22-20(12-7-15-21-13-5-6-14-21)16-8-1-3-10-18(16)23-19-11-4-2-9-17(19)20;6*1-2;;/h1-4,8-11,22H,5-6,13-15H2;;;;;;;;/q;;;;;;;2*+3