cyclopentane; ethyl 3-oxidanylidene-2-phenyl-butanoate; iron(2+); hexafluorophosphate

Systemtic Name: cyclopentane; ethyl 3-oxidanylidene-2-phenyl-butanoate; iron(2+); hexafluorophosphate Openeye Name: ferrous; cyclopentane; ethyl 3-oxo-2-phenyl-butanoate; hexafluorophosphate CAS Name: cyclopentane; iron(2+); 3-oxo-2-phenylbutanoic acid ethyl ester; hexafluorophosphate IUPAC Name: cyclopentane; ethyl 3-oxo-2-phenylbutanoate; iron(2+); hexafluorophosphate Traditional Name: ferrous; cyclopentane; 3-keto-2-phenyl-butyric acid ethyl ester; hexafluorophosphate Formula: C17H19F6FeO3P+ MolecularWeight: 472.14014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)C(=O)C.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Fe+2]

Isomeric SMILES

CCOC(=O)C(C1=CC=CC=C1)C(=O)C.[CH]1[CH][CH][CH][CH]1.F[P-](F)(F)(F)(F)F.[Fe+2]

InChI

InChI=1S/C12H14O3.C5H5.F6P.Fe/c1-3-15-12(14)11(9(2)13)10-7-5-4-6-8-10;1-2-4-5-3-1;1-7(2,3,4,5)6;/h4-8,11H,3H2,1-2H3;1-5H;;/q;;-1;+2