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

Systemtic Name: 1-cyclopenta-1,4-dien-1-ylethanone; 2-(2,2-dimethylpropyl)cyclopenta-1,3-diene; iron(2+) Openeye Name: ferrous; 1-cyclopenta-1,4-dien-1-ylethanone; 2-(2,2-dimethylpropyl)cyclopenta-1,3-diene CAS Name: 1-(1-cyclopenta-1,4-dienyl)ethanone; 2-(2,2-dimethylpropyl)cyclopenta-1,3-diene; iron(2+) IUPAC Name: 1-cyclopenta-1,4-dien-1-ylethanone; 2-(2,2-dimethylpropyl)cyclopenta-1,3-diene; iron(2+) Traditional Name: ferrous; 1-cyclopenta-1,4-dien-1-ylethanone; 2-neopentylcyclopenta-1,3-diene Formula: C17H22FeO MolecularWeight: 298.20098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15.C7H7O.Fe/c1-10(2,3)8-9-6-4-5-7-9;1-6(8)7-4-2-3-5-7;/h4,6H,5,8H2,1-3H3;2,4H,3H2,1H3;/q2*-1;+2