1-cyclopenta-1,4-dien-1-yl-2-phenyl-ethanone; 2-(2,2-dimethylpropyl)cyclopenta-1,3-diene; iron(2+)

Systemtic Name: 1-cyclopenta-1,4-dien-1-yl-2-phenyl-ethanone; 2-(2,2-dimethylpropyl)cyclopenta-1,3-diene; iron(2+) Openeye Name: ferrous; 1-cyclopenta-1,4-dien-1-yl-2-phenyl-ethanone; 2-(2,2-dimethylpropyl)cyclopenta-1,3-diene CAS Name: 1-(1-cyclopenta-1,4-dienyl)-2-phenylethanone; 2-(2,2-dimethylpropyl)cyclopenta-1,3-diene; iron(2+) IUPAC Name: 1-cyclopenta-1,4-dien-1-yl-2-phenylethanone; 2-(2,2-dimethylpropyl)cyclopenta-1,3-diene; iron(2+) Traditional Name: ferrous; 1-cyclopenta-1,4-dien-1-yl-2-phenyl-ethanone; 2-neopentylcyclopenta-1,3-diene Formula: C23H26FeO MolecularWeight: 374.29694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=[C-]CC=C1.C1C=CC(=[C-]1)C(=O)CC2=CC=CC=C2.[Fe+2]

Isomeric SMILES

CC(C)(C)CC1=[C-]CC=C1.C1C=CC(=[C-]1)C(=O)CC2=CC=CC=C2.[Fe+2]

InChI

InChI=1S/C13H11O.C10H15.Fe/c14-13(12-8-4-5-9-12)10-11-6-2-1-3-7-11;1-10(2,3)8-9-6-4-5-7-9;/h1-4,6-8H,5,10H2;4,6H,5,8H2,1-3H3;/q2*-1;+2