carbon monoxide; diphenylphosphane; iron; 1-phenylbut-3-en-1-one; trimethyl phosphite

Systemtic Name: carbon monoxide; diphenylphosphane; iron; 1-phenylbut-3-en-1-one; trimethyl phosphite Openeye Name: carbon monoxide; diphenylphosphane; iron; 1-phenylbut-3-en-1-one; trimethyl phosphite CAS Name: carbon monoxide; diphenylphosphine; iron; 1-phenyl-3-buten-1-one; phosphorous acid trimethyl ester IUPAC Name: carbon monoxide; diphenylphosphane; iron; 1-phenylbut-3-en-1-one; trimethyl phosphite Traditional Name: carbon monoxide; diphenylphosphine; iron; 1-phenylbut-3-en-1-one; phosphorous acid trimethyl ester Formula: C30H29Fe2O9P2- MolecularWeight: 707.183382

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Descriptors Computed from Structure

Canonical SMILES:

COP(OC)OC.C=[C-]CC(=O)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

COP(OC)OC.C=[C-]CC(=O)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.C10H9O.C3H9O3P.5CO.2Fe/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-6-10(11)9-7-4-3-5-8-9;1-4-7(5-2)6-3;5*1-2;;/h1-10,13H;3-5,7-8H,1,6H2;1-3H3;;;;;;;/q;-1;;;;;;;;