carbon monoxide; cobalt; (3R,4R)-1,6-diphenylhexa-1,5-diyne-3,4-diol

Systemtic Name: carbon monoxide; cobalt; (3R,4R)-1,6-diphenylhexa-1,5-diyne-3,4-diol Openeye Name: carbon monoxide; cobalt; (3R,4R)-1,6-diphenylhexa-1,5-diyne-3,4-diol CAS Name: carbon monoxide; cobalt; (3R,4R)-1,6-diphenylhexa-1,5-diyne-3,4-diol IUPAC Name: carbon monoxide; cobalt; (3R,4R)-1,6-diphenylhexa-1,5-diyne-3,4-diol Traditional Name: carbon monoxide; cobalt; (3R,4R)-1,6-diphenylhexa-1,5-diyne-3,4-diol Formula: C30H14Co4O14 MolecularWeight: 834.15656

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)C#CC(C(C#CC2=CC=CC=C2)O)O.[Co].[Co].[Co].[Co]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)C#C[C@H]([C@@H](C#CC2=CC=CC=C2)O)O.[Co].[Co].[Co].[Co]

InChI

InChI=1S/C18H14O2.12CO.4Co/c19-17(13-11-15-7-3-1-4-8-15)18(20)14-12-16-9-5-2-6-10-16;12*1-2;;;;/h1-10,17-20H;;;;;;;;;;;;;;;;/t17-,18-;;;;;;;;;;;;;;;;/m1................/s1