carbon monoxide; iron; 2-methoxy-3,5-dimethyl-cyclohexa-1,3-diene; hexafluorophosphate

Systemtic Name: carbon monoxide; iron; 2-methoxy-3,5-dimethyl-cyclohexa-1,3-diene; hexafluorophosphate Openeye Name: carbon monoxide; iron; 2-methoxy-3,5-dimethyl-cyclohexa-1,3-diene; hexafluorophosphate CAS Name: carbon monoxide; iron; 2-methoxy-3,5-dimethylcyclohexa-1,3-diene; hexafluorophosphate IUPAC Name: carbon monoxide; iron; 2-methoxy-3,5-dimethylcyclohexa-1,3-diene; hexafluorophosphate Traditional Name: carbon monoxide; iron; 2-methoxy-3,5-dimethyl-cyclohexa-1,3-diene; hexafluorophosphate Formula: C12H13F6FeO4P MolecularWeight: 422.0384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[C+](CC=C1OC)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].F[P-](F)(F)(F)(F)F.[Fe]

Isomeric SMILES

CC1=C[C+](CC=C1OC)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].F[P-](F)(F)(F)(F)F.[Fe]

InChI

InChI=1S/C9H13O.3CO.F6P.Fe/c1-7-4-5-9(10-3)8(2)6-7;3*1-2;1-7(2,3,4,5)6;/h5-6H,4H2,1-3H3;;;;;/q+1;;;;-1;