cyclopentane; 1-cyclopentyl-4,4-dimethyl-pent-2-yn-1-one; iron(2+)

Systemtic Name: cyclopentane; 1-cyclopentyl-4,4-dimethyl-pent-2-yn-1-one; iron(2+) Openeye Name: ferrous; cyclopentane; 1-cyclopentyl-4,4-dimethyl-pent-2-yn-1-one CAS Name: cyclopentane; 1-cyclopentyl-4,4-dimethyl-2-pentyn-1-one; iron(2+) IUPAC Name: cyclopentane; 1-cyclopentyl-4,4-dimethylpent-2-yn-1-one; iron(2+) Traditional Name: ferrous; cyclopentane; 1-cyclopentyl-4,4-dimethyl-pent-2-yn-1-one Formula: C17H18FeO+2 MolecularWeight: 294.16922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13O.C5H5.Fe/c1-12(2,3)9-8-11(13)10-6-4-5-7-10;1-2-4-5-3-1;/h4-7H,1-3H3;1-5H;/q;;+2