carbon monoxide; cobalt; 7-phenylmethoxyhepta-2,5-diynyl ethanoate

Systemtic Name: carbon monoxide; cobalt; 7-phenylmethoxyhepta-2,5-diynyl ethanoate Openeye Name: 7-benzyloxyhepta-2,5-diynyl acetate; carbon monoxide; cobalt CAS Name: acetic acid 7-phenylmethoxyhepta-2,5-diynyl ester; carbon monoxide; cobalt IUPAC Name: carbon monoxide; cobalt; 7-phenylmethoxyhepta-2,5-diynyl acetate Traditional Name: acetic acid 7-benzoxyhepta-2,5-diynyl ester; carbon monoxide; cobalt Formula: C28H16Co4O15 MolecularWeight: 828.15044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC#CCC#CCOCC1=CC=CC=C1.[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].[Co].[Co]

Isomeric SMILES

CC(=O)OCC#CCC#CCOCC1=CC=CC=C1.[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].[Co].[Co]

InChI

InChI=1S/C16H16O3.12CO.4Co/c1-15(17)19-13-9-4-2-3-8-12-18-14-16-10-6-5-7-11-16;12*1-2;;;;/h5-7,10-11H,2,12-14H2,1H3;;;;;;;;;;;;;;;;