cyclopenta-1,3-diene; 1-cyclopenta-1,3-dien-1-ylpropan-2-one; iron(2+)

Systemtic Name: cyclopenta-1,3-diene; 1-cyclopenta-1,3-dien-1-ylpropan-2-one; iron(2+) Openeye Name: ferrous; cyclopenta-1,3-diene; 1-cyclopenta-1,3-dien-1-ylpropan-2-one CAS Name: cyclopenta-1,3-diene; 1-(1-cyclopenta-1,3-dienyl)-2-propanone; iron(2+) IUPAC Name: cyclopenta-1,3-diene; 1-cyclopenta-1,3-dien-1-ylpropan-2-one; iron(2+) Traditional Name: ferrous; cyclopenta-1,3-diene; 1-cyclopenta-1,3-dien-1-ylacetone Formula: C13H14FeO MolecularWeight: 242.09466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9O.C5H5.Fe/c1-7(9)6-8-4-2-3-5-8;1-2-4-5-3-1;/h2-5H,6H2,1H3;1-5H;/q2*-1;+2