carbon monoxide; cobalt; [(8S)-6-oxidanyl-8-phenylmethoxy-undec-4-ynyl] benzoate

Systemtic Name: carbon monoxide; cobalt; [(8S)-6-oxidanyl-8-phenylmethoxy-undec-4-ynyl] benzoate Openeye Name: [(8S)-8-benzyloxy-6-hydroxy-undec-4-ynyl] benzoate; carbon monoxide; cobalt CAS Name: benzoic acid [(8S)-6-hydroxy-8-phenylmethoxyundec-4-ynyl] ester; carbon monoxide; cobalt IUPAC Name: carbon monoxide; cobalt; [(8S)-6-hydroxy-8-phenylmethoxyundec-4-ynyl] benzoate Traditional Name: benzoic acid [(8S)-8-benzoxy-6-hydroxy-undec-4-ynyl] ester; carbon monoxide; cobalt Formula: C31H30Co2O10 MolecularWeight: 680.4303

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(C#CCCCOC(=O)C1=CC=CC=C1)O)OCC2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]

Isomeric SMILES

CCC[C@@H](CC(C#CCCCOC(=O)C1=CC=CC=C1)O)OCC2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co]

InChI

InChI=1S/C25H30O4.6CO.2Co/c1-2-12-24(29-20-21-13-6-3-7-14-21)19-23(26)17-10-5-11-18-28-25(27)22-15-8-4-9-16-22;6*1-2;;/h3-4,6-9,13-16,23-24,26H,2,5,11-12,18-20H2,1H3;;;;;;;;/t23?,24-;;;;;;;;/m0......../s1