carbon monoxide; cobalt; ethynylbenzene; triphenylphosphane

Systemtic Name: carbon monoxide; cobalt; ethynylbenzene; triphenylphosphane Openeye Name: carbon monoxide; cobalt; ethynylbenzene; triphenylphosphane CAS Name: carbon monoxide; cobalt; ethynylbenzene; triphenylphosphine IUPAC Name: carbon monoxide; cobalt; ethynylbenzene; triphenylphosphane Traditional Name: carbon monoxide; cobalt; ethynylbenzene; triphenylphosphine Formula: C31H21Co2O5P MolecularWeight: 622.335601

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=CC=C1.[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

C#CC1=CC=CC=C1.[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.C8H6.5CO.2Co/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-8-6-4-3-5-7-8;5*1-2;;/h1-15H;1,3-7H;;;;;;;