cyclopentane; 3-cyclopentyl-1-phenyl-pent-4-yn-1-one; iron(2+)

Systemtic Name: cyclopentane; 3-cyclopentyl-1-phenyl-pent-4-yn-1-one; iron(2+) Openeye Name: ferrous; cyclopentane; 3-cyclopentyl-1-phenyl-pent-4-yn-1-one CAS Name: cyclopentane; 3-cyclopentyl-1-phenyl-4-pentyn-1-one; iron(2+) IUPAC Name: cyclopentane; 3-cyclopentyl-1-phenylpent-4-yn-1-one; iron(2+) Traditional Name: ferrous; cyclopentane; 3-cyclopentyl-1-phenyl-pent-4-yn-1-one Formula: C21H18FeO+2 MolecularWeight: 342.21202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13O.C5H5.Fe/c1-2-13(14-8-6-7-9-14)12-16(17)15-10-4-3-5-11-15;1-2-4-5-3-1;/h1,3-11,13H,12H2;1-5H;/q;;+2