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

Systemtic Name: cyclopenta-1,3-diene; 1-cyclopenta-1,3-dien-1-ylbutan-1-one; iron(2+) Openeye Name: ferrous; cyclopenta-1,3-diene; 1-cyclopenta-1,3-dien-1-ylbutan-1-one CAS Name: cyclopenta-1,3-diene; 1-(1-cyclopenta-1,3-dienyl)-1-butanone; iron(2+) IUPAC Name: cyclopenta-1,3-diene; 1-cyclopenta-1,3-dien-1-ylbutan-1-one; iron(2+) Traditional Name: ferrous; cyclopenta-1,3-diene; 1-cyclopenta-1,3-dien-1-ylbutan-1-one Formula: C14H16FeO MolecularWeight: 256.12124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11O.C5H5.Fe/c1-2-5-9(10)8-6-3-4-7-8;1-2-4-5-3-1;/h3-4,6-7H,2,5H2,1H3;1-5H;/q2*-1;+2