but-2-ynal; carbon monoxide; cobalt; triphenylphosphane

Systemtic Name: but-2-ynal; carbon monoxide; cobalt; triphenylphosphane Openeye Name: but-2-ynal; carbon monoxide; cobalt; triphenylphosphane CAS Name: 2-butynal; carbon monoxide; cobalt; triphenylphosphine IUPAC Name: but-2-ynal; carbon monoxide; cobalt; triphenylphosphane Traditional Name: but-2-ynal; carbon monoxide; cobalt; triphenylphosphine Formula: C27H19Co2O6P MolecularWeight: 588.276321

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Co].[Co]

Isomeric SMILES

CC#CC=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Co].[Co]

InChI

InChI=1S/C18H15P.C4H4O.5CO.2Co/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-5;5*1-2;;/h1-15H;4H,1H3;;;;;;;