iron(2+); methylcyclohexane; prop-2-ynyl cyclopentanecarboxylate; hexafluorophosphate

Systemtic Name: iron(2+); methylcyclohexane; prop-2-ynyl cyclopentanecarboxylate; hexafluorophosphate Openeye Name: ferrous; methylcyclohexane; prop-2-ynyl cyclopentanecarboxylate; hexafluorophosphate CAS Name: cyclopentanecarboxylic acid prop-2-ynyl ester; iron(2+); methylcyclohexane; hexafluorophosphate IUPAC Name: iron(2+); methylcyclohexane; prop-2-ynyl cyclopentanecarboxylate; hexafluorophosphate Traditional Name: ferrous; cyclopentanecarboxylic acid propargyl ester; methylcyclohexane; hexafluorophosphate Formula: C16H15F6FeO2P+ MolecularWeight: 440.09828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7O2.C7H8.F6P.Fe/c1-2-7-11-9(10)8-5-3-4-6-8;1-7-5-3-2-4-6-7;1-7(2,3,4,5)6;/h1,3-6H,7H2;2-6H,1H3;;/q;;-1;+2