1-cyclopenta-1,4-dien-1-yl-2,2-dimethyl-propan-1-one; 2-cyclopenta-1,4-dien-1-ylethylbenzene; iron(2+)

Systemtic Name: 1-cyclopenta-1,4-dien-1-yl-2,2-dimethyl-propan-1-one; 2-cyclopenta-1,4-dien-1-ylethylbenzene; iron(2+) Openeye Name: ferrous; 1-cyclopenta-1,4-dien-1-yl-2,2-dimethyl-propan-1-one; 2-cyclopenta-1,4-dien-1-ylethylbenzene CAS Name: 1-(1-cyclopenta-1,4-dienyl)-2,2-dimethyl-1-propanone; 2-(1-cyclopenta-1,4-dienyl)ethylbenzene; iron(2+) IUPAC Name: 1-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropan-1-one; 2-cyclopenta-1,4-dien-1-ylethylbenzene; iron(2+) Traditional Name: ferrous; 1-cyclopenta-1,4-dien-1-yl-2,2-dimethyl-propan-1-one; 2-cyclopenta-1,4-dien-1-ylethylbenzene Formula: C23H26FeO MolecularWeight: 374.29694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C1=[C-]CC=C1.C1C=CC(=[C-]1)CCC2=CC=CC=C2.[Fe+2]

Isomeric SMILES

CC(C)(C)C(=O)C1=[C-]CC=C1.C1C=CC(=[C-]1)CCC2=CC=CC=C2.[Fe+2]

InChI

InChI=1S/C13H13.C10H13O.Fe/c1-2-6-12(7-3-1)10-11-13-8-4-5-9-13;1-10(2,3)9(11)8-6-4-5-7-8;/h1-4,6-8H,5,10-11H2;4,6H,5H2,1-3H3;/q2*-1;+2