2-cyclopenta-1,4-dien-1-yl-5-methyl-5-(2-methylpentan-2-ylperoxy)hex-3-yn-2-ol; iron(2+)

Systemtic Name: 2-cyclopenta-1,4-dien-1-yl-5-methyl-5-(2-methylpentan-2-ylperoxy)hex-3-yn-2-ol; iron(2+) Openeye Name: ferrous 2-cyclopenta-1,4-dien-1-yl-5-(1,1-dimethylbutylperoxy)-5-methyl-hex-3-yn-2-ol CAS Name: 2-(1-cyclopenta-1,4-dienyl)-5-methyl-5-(2-methylpentan-2-yldioxy)-3-hexyn-2-ol; iron(2+) IUPAC Name: 2-cyclopenta-1,4-dien-1-yl-5-methyl-5-(2-methylpentan-2-ylperoxy)hex-3-yn-2-ol; iron(2+) Traditional Name: ferrous 2-cyclopenta-1,4-dien-1-yl-5-(1,1-dimethylbutylperoxy)-5-methyl-hex-3-yn-2-ol Formula: C36H54FeO6 MolecularWeight: 638.65536

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)OOC(C)(C)C#CC(C)(C1=C[CH-]C=C1)O.CCCC(C)(C)OOC(C)(C)C#CC(C)(C1=C[CH-]C=C1)O.[Fe+2]

Isomeric SMILES

CCCC(C)(C)OOC(C)(C)C#CC(C)(C1=C[CH-]C=C1)O.CCCC(C)(C)OOC(C)(C)C#CC(C)(C1=C[CH-]C=C1)O.[Fe+2]

InChI

InChI=1S/2C18H27O3.Fe/c2*1-7-12-16(2,3)20-21-17(4,5)13-14-18(6,19)15-10-8-9-11-15;/h2*8-11,19H,7,12H2,1-6H3;/q2*-1;+2