cyclopenta-1,3-diene; 1-(2-ethylcyclopenta-1,3-dien-1-yl)ethanone; iron(2+)

Systemtic Name: cyclopenta-1,3-diene; 1-(2-ethylcyclopenta-1,3-dien-1-yl)ethanone; iron(2+) Openeye Name: ferrous; cyclopenta-1,3-diene; 1-(2-ethylcyclopenta-1,3-dien-1-yl)ethanone CAS Name: cyclopenta-1,3-diene; 1-(2-ethyl-1-cyclopenta-1,3-dienyl)ethanone; iron(2+) IUPAC Name: cyclopenta-1,3-diene; 1-(2-ethylcyclopenta-1,3-dien-1-yl)ethanone; iron(2+) Traditional Name: ferrous; cyclopenta-1,3-diene; 1-(2-ethylcyclopenta-1,3-dien-1-yl)ethanone Formula: C14H16FeO MolecularWeight: 256.12124

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C([CH-]C=C1)C(=O)C.[CH-]1C=CC=C1.[Fe+2]

Isomeric SMILES

CCC1=C([CH-]C=C1)C(=O)C.[CH-]1C=CC=C1.[Fe+2]

InChI

InChI=1S/C9H11O.C5H5.Fe/c1-3-8-5-4-6-9(8)7(2)10;1-2-4-5-3-1;/h4-6H,3H2,1-2H3;1-5H;/q2*-1;+2