cyclopenta-1,3-diene; 1-cyclopenta-1,4-dien-1-ylethanone; iron(2+)

Systemtic Name: cyclopenta-1,3-diene; 1-cyclopenta-1,4-dien-1-ylethanone; iron(2+) Openeye Name: ferrous; cyclopenta-1,3-diene; 1-cyclopenta-1,4-dien-1-ylethanone CAS Name: cyclopenta-1,3-diene; 1-(1-cyclopenta-1,4-dienyl)ethanone; iron(2+) IUPAC Name: cyclopenta-1,3-diene; 1-cyclopenta-1,4-dien-1-ylethanone; iron(2+) Traditional Name: ferrous; cyclopenta-1,3-diene; 1-cyclopenta-1,4-dien-1-ylethanone Formula: C12H12FeO MolecularWeight: 228.06808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7O.C5H5.Fe/c1-6(8)7-4-2-3-5-7;1-2-4-5-3-1;/h2,4H,3H2,1H3;1-2,5H,3H2;/q2*-1;+2