carbon monoxide; diphenylphosphane; iron; methyl 2-phenylbut-3-enoate

Systemtic Name: carbon monoxide; diphenylphosphane; iron; methyl 2-phenylbut-3-enoate Openeye Name: carbon monoxide; diphenylphosphane; iron; methyl 2-phenylbut-3-enoate CAS Name: carbon monoxide; diphenylphosphine; iron; 2-phenyl-3-butenoic acid methyl ester IUPAC Name: carbon monoxide; diphenylphosphane; iron; methyl 2-phenylbut-3-enoate Traditional Name: carbon monoxide; diphenylphosphine; iron; 2-phenylbut-3-enoic acid methyl ester Formula: C28H22Fe2O7P- MolecularWeight: 613.133841

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C([C-]=C)C1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)PC2=CC=CC=C2.[Fe].[Fe]

Isomeric SMILES

COC(=O)C([C-]=C)C1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)PC2=CC=CC=C2.[Fe].[Fe]

InChI

InChI=1S/C12H11P.C11H11O2.5CO.2Fe/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-10(11(12)13-2)9-7-5-4-6-8-9;5*1-2;;/h1-10,13H;4-8,10H,1H2,2H3;;;;;;;/q;-1;;;;;;;