cyclopentane; ethyl 2-(4-methylphenyl)propanoate; iron; hexafluorophosphate

Systemtic Name: cyclopentane; ethyl 2-(4-methylphenyl)propanoate; iron; hexafluorophosphate Openeye Name: cyclopentane; ethyl 2-(p-tolyl)propanoate; iron; hexafluorophosphate CAS Name: cyclopentane; iron; 2-(4-methylphenyl)propanoic acid ethyl ester; hexafluorophosphate IUPAC Name: cyclopentane; ethyl 2-(4-methylphenyl)propanoate; iron; hexafluorophosphate Traditional Name: cyclopentane; iron; 2-(p-tolyl)propionic acid ethyl ester; hexafluorophosphate Formula: C17H21F6FeO2P- MolecularWeight: 458.15662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16O2.C5H5.F6P.Fe/c1-4-14-12(13)10(3)11-7-5-9(2)6-8-11;1-2-4-5-3-1;1-7(2,3,4,5)6;/h5-8,10H,4H2,1-3H3;1-5H;;/q;;-1;