1-cyclopenta-1,4-dien-1-yl-2,2-dimethyl-propan-1-one; iron(2+); 2-(2-methylpropyl)cyclopenta-1,3-diene

Systemtic Name: 1-cyclopenta-1,4-dien-1-yl-2,2-dimethyl-propan-1-one; iron(2+); 2-(2-methylpropyl)cyclopenta-1,3-diene Openeye Name: ferrous; 1-cyclopenta-1,4-dien-1-yl-2,2-dimethyl-propan-1-one; 2-isobutylcyclopenta-1,3-diene CAS Name: 1-(1-cyclopenta-1,4-dienyl)-2,2-dimethyl-1-propanone; iron(2+); 2-(2-methylpropyl)cyclopenta-1,3-diene IUPAC Name: 1-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropan-1-one; iron(2+); 2-(2-methylpropyl)cyclopenta-1,3-diene Traditional Name: ferrous; 1-cyclopenta-1,4-dien-1-yl-2,2-dimethyl-propan-1-one; 2-isobutylcyclopenta-1,3-diene Formula: C19H26FeO MolecularWeight: 326.25414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13O.C9H13.Fe/c1-10(2,3)9(11)8-6-4-5-7-8;1-8(2)7-9-5-3-4-6-9;/h4,6H,5H2,1-3H3;3,5,8H,4,7H2,1-2H3;/q2*-1;+2