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

Systemtic Name: 1-cyclopenta-1,4-dien-1-yl-2,2-dimethyl-propan-1-one; cyclopenta-1,4-dien-1-ylmethylbenzene; iron(2+) Openeye Name: ferrous; 1-cyclopenta-1,4-dien-1-yl-2,2-dimethyl-propan-1-one; cyclopenta-1,4-dien-1-ylmethylbenzene CAS Name: 1-(1-cyclopenta-1,4-dienyl)-2,2-dimethyl-1-propanone; 1-cyclopenta-1,4-dienylmethylbenzene; iron(2+) IUPAC Name: 1-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropan-1-one; cyclopenta-1,4-dien-1-ylmethylbenzene; iron(2+) Traditional Name: ferrous; 1-cyclopenta-1,4-dien-1-yl-2,2-dimethyl-propan-1-one; cyclopenta-1,4-dien-1-ylmethylbenzene Formula: C22H24FeO MolecularWeight: 360.27036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11.C10H13O.Fe/c1-2-6-11(7-3-1)10-12-8-4-5-9-12;1-10(2,3)9(11)8-6-4-5-7-8;/h1-4,6-8H,5,10H2;4,6H,5H2,1-3H3;/q2*-1;+2