cyclopentane; (3,5-diethynylphenyl) cyclopentanecarboxylate; iron(2+)

Systemtic Name: cyclopentane; (3,5-diethynylphenyl) cyclopentanecarboxylate; iron(2+) Openeye Name: ferrous; cyclopentane; (3,5-diethynylphenyl) cyclopentanecarboxylate CAS Name: cyclopentane; cyclopentanecarboxylic acid (3,5-diethynylphenyl) ester; iron(2+) IUPAC Name: cyclopentane; (3,5-diethynylphenyl) cyclopentanecarboxylate; iron(2+) Traditional Name: ferrous; cyclopentane; cyclopentanecarboxylic acid (3,5-diethynylphenyl) ester Formula: C21H14FeO2+2 MolecularWeight: 354.17966

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC(=C1)OC(=O)[C]2[CH][CH][CH][CH]2)C#C.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

C#CC1=CC(=CC(=C1)OC(=O)[C]2[CH][CH][CH][CH]2)C#C.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C16H9O2.C5H5.Fe/c1-3-12-9-13(4-2)11-15(10-12)18-16(17)14-7-5-6-8-14;1-2-4-5-3-1;/h1-2,5-11H;1-5H;/q;;+2