[(1S,4S)-4-acetyloxycyclohept-5-en-2-yn-1-yl] ethanoate; carbon monoxide; cobalt

Systemtic Name: [(1S,4S)-4-acetyloxycyclohept-5-en-2-yn-1-yl] ethanoate; carbon monoxide; cobalt Openeye Name: [(1S,4S)-4-acetoxycyclohept-5-en-2-yn-1-yl] acetate; carbon monoxide; cobalt CAS Name: acetic acid [(1S,4S)-4-acetyloxy-1-cyclohept-5-en-2-ynyl] ester; carbon monoxide; cobalt IUPAC Name: [(1S,4S)-4-acetyloxycyclohept-5-en-2-yn-1-yl] acetate; carbon monoxide; cobalt Traditional Name: acetic acid [(1S,4S)-4-acetoxycyclohept-5-en-2-yn-1-yl] ester; carbon monoxide; cobalt Formula: C17H12Co2O10 MolecularWeight: 494.13758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC=CC(C#C1)OC(=O)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]

Isomeric SMILES

CC(=O)O[C@H]1CC=C[C@@H](C#C1)OC(=O)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]

InChI

InChI=1S/C11H12O4.6CO.2Co/c1-8(12)14-10-4-3-5-11(7-6-10)15-9(2)13;6*1-2;;/h3-4,10-11H,5H2,1-2H3;;;;;;;;/t10-,11-;;;;;;;;/m0......../s1