carbon monoxide; cobalt; methyl (E)-7-bromanyl-9-phenyl-non-2-en-8-ynoate

Systemtic Name: carbon monoxide; cobalt; methyl (E)-7-bromanyl-9-phenyl-non-2-en-8-ynoate Openeye Name: carbon monoxide; cobalt; methyl (E)-7-bromo-9-phenyl-non-2-en-8-ynoate CAS Name: (E)-7-bromo-9-phenylnon-2-en-8-ynoic acid methyl ester; carbon monoxide; cobalt IUPAC Name: carbon monoxide; cobalt; methyl (E)-7-bromo-9-phenylnon-2-en-8-ynoate Traditional Name: (E)-7-bromo-9-phenyl-non-2-en-8-ynoic acid methyl ester; carbon monoxide; cobalt Formula: C22H17BrCo2O8 MolecularWeight: 607.13598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCCCC(C#CC1=CC=CC=C1)Br.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]

Isomeric SMILES

COC(=O)/C=C/CCCC(C#CC1=CC=CC=C1)Br.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]

InChI

InChI=1S/C16H17BrO2.6CO.2Co/c1-19-16(18)11-7-3-6-10-15(17)13-12-14-8-4-2-5-9-14;6*1-2;;/h2,4-5,7-9,11,15H,3,6,10H2,1H3;;;;;;;;/b11-7+;;;;;;;;