carbon monoxide; iron; 2-(4-methoxycyclohexa-2,4-dien-1-yl)ethyl ethanoate; hexafluorophosphate

Systemtic Name: carbon monoxide; iron; 2-(4-methoxycyclohexa-2,4-dien-1-yl)ethyl ethanoate; hexafluorophosphate Openeye Name: carbon monoxide; iron; 2-(4-methoxycyclohexa-2,4-dien-1-yl)ethyl acetate; hexafluorophosphate CAS Name: acetic acid 2-(4-methoxy-1-cyclohexa-2,4-dienyl)ethyl ester; carbon monoxide; iron; hexafluorophosphate IUPAC Name: carbon monoxide; iron; 2-(4-methoxycyclohexa-2,4-dien-1-yl)ethyl acetate; hexafluorophosphate Traditional Name: acetic acid 2-(4-methoxycyclohexa-2,4-dien-1-yl)ethyl ester; carbon monoxide; iron; hexafluorophosphate Formula: C14H15F6FeO6P MolecularWeight: 480.07448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC[C+]1CC=C(C=C1)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].F[P-](F)(F)(F)(F)F.[Fe]

Isomeric SMILES

CC(=O)OCC[C+]1CC=C(C=C1)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].F[P-](F)(F)(F)(F)F.[Fe]

InChI

InChI=1S/C11H15O3.3CO.F6P.Fe/c1-9(12)14-8-7-10-3-5-11(13-2)6-4-10;3*1-2;1-7(2,3,4,5)6;/h3,5-6H,4,7-8H2,1-2H3;;;;;/q+1;;;;-1;