cyclopentane; iron(2+); 2,2,2-tris(fluoranyl)ethyl 2-methylcyclopentane-1-carboxylate

Systemtic Name: cyclopentane; iron(2+); 2,2,2-tris(fluoranyl)ethyl 2-methylcyclopentane-1-carboxylate Openeye Name: ferrous; cyclopentane; 2,2,2-trifluoroethyl 2-methylcyclopentanecarboxylate CAS Name: cyclopentane; iron(2+); 2-methyl-1-cyclopentanecarboxylic acid 2,2,2-trifluoroethyl ester IUPAC Name: cyclopentane; iron(2+); 2,2,2-trifluoroethyl 2-methylcyclopentane-1-carboxylate Traditional Name: ferrous; cyclopentane; 2-methylcyclopentanecarboxylic acid 2,2,2-trifluoroethyl ester Formula: C14H13F3FeO2+2 MolecularWeight: 326.09203

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Descriptors Computed from Structure

Canonical SMILES:

C[C]1[CH][CH][CH][C]1C(=O)OCC(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C[C]1[CH][CH][CH][C]1C(=O)OCC(F)(F)F.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C9H8F3O2.C5H5.Fe/c1-6-3-2-4-7(6)8(13)14-5-9(10,11)12;1-2-4-5-3-1;/h2-4H,5H2,1H3;1-5H;/q;;+2