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

Systemtic Name: cyclopenta-1,4-dien-1-yl(phenyl)methanone; 2-(2,2-dimethylpropyl)cyclopenta-1,3-diene; iron(2+) Openeye Name: ferrous; cyclopenta-1,4-dien-1-yl(phenyl)methanone; 2-(2,2-dimethylpropyl)cyclopenta-1,3-diene CAS Name: 1-cyclopenta-1,4-dienyl(phenyl)methanone; 2-(2,2-dimethylpropyl)cyclopenta-1,3-diene; iron(2+) IUPAC Name: cyclopenta-1,4-dien-1-yl(phenyl)methanone; 2-(2,2-dimethylpropyl)cyclopenta-1,3-diene; iron(2+) Traditional Name: ferrous; cyclopenta-1,4-dien-1-yl(phenyl)methanone; 2-neopentylcyclopenta-1,3-diene Formula: C22H24FeO MolecularWeight: 360.27036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9O.C10H15.Fe/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10;1-10(2,3)8-9-6-4-5-7-9;/h1-4,6-8H,5H2;4,6H,5,8H2,1-3H3;/q2*-1;+2