cyclopenta-1,3-diene; 1-cyclopenta-1,4-dien-1-ylprop-2-yn-1-ol; iron(2+)

Systemtic Name: cyclopenta-1,3-diene; 1-cyclopenta-1,4-dien-1-ylprop-2-yn-1-ol; iron(2+) Openeye Name: ferrous; cyclopenta-1,3-diene; 1-cyclopenta-1,4-dien-1-ylprop-2-yn-1-ol CAS Name: cyclopenta-1,3-diene; 1-(1-cyclopenta-1,4-dienyl)-2-propyn-1-ol; iron(2+) IUPAC Name: cyclopenta-1,3-diene; 1-cyclopenta-1,4-dien-1-ylprop-2-yn-1-ol; iron(2+) Traditional Name: ferrous; cyclopenta-1,3-diene; 1-cyclopenta-1,4-dien-1-ylprop-2-yn-1-ol Formula: C13H12FeO MolecularWeight: 240.07878

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(C1=[C-]CC=C1)O.C1C=CC=[C-]1.[Fe+2]

Isomeric SMILES

C#CC(C1=[C-]CC=C1)O.C1C=CC=[C-]1.[Fe+2]

InChI

InChI=1S/C8H7O.C5H5.Fe/c1-2-8(9)7-5-3-4-6-7;1-2-4-5-3-1;/h1,3,5,8-9H,4H2;1-3H,4H2;/q2*-1;+2