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

Systemtic Name: 1-cyclopenta-1,3-dien-1-ylbutan-1-one; iron(2+) Openeye Name: ferrous 1-cyclopenta-1,3-dien-1-ylbutan-1-one CAS Name: 1-(1-cyclopenta-1,3-dienyl)-1-butanone; iron(2+) IUPAC Name: 1-cyclopenta-1,3-dien-1-ylbutan-1-one; iron(2+) Traditional Name: ferrous 1-cyclopenta-1,3-dien-1-ylbutan-1-one Formula: C18H22FeO2 MolecularWeight: 326.21108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H11O.Fe/c2*1-2-5-9(10)8-6-3-4-7-8;/h2*3-4,6-7H,2,5H2,1H3;/q2*-1;+2