cyclopentane; 1-cyclopentyl-1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-ol; iron(2+)

Systemtic Name: cyclopentane; 1-cyclopentyl-1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-ol; iron(2+) Openeye Name: ferrous; cyclopentane; 1-cyclopentyl-1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-ol CAS Name: cyclopentane; 1-cyclopentyl-1-[4-(trifluoromethyl)phenyl]-2-propyn-1-ol; iron(2+) IUPAC Name: cyclopentane; 1-cyclopentyl-1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-ol; iron(2+) Traditional Name: ferrous; cyclopentane; 1-cyclopentyl-1-[4-(trifluoromethyl)phenyl]prop-2-yn-1-ol Formula: C20H15F3FeO+2 MolecularWeight: 384.17271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10F3O.C5H5.Fe/c1-2-14(19,11-5-3-4-6-11)12-7-9-13(10-8-12)15(16,17)18;1-2-4-5-3-1;/h1,3-10,19H;1-5H;/q;;+2