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

Systemtic Name: 5-tert-butylperoxy-2-cyclopenta-1,4-dien-1-yl-5-methyl-hex-3-yn-2-ol; iron(2+) Openeye Name: ferrous 5-tert-butylperoxy-2-cyclopenta-1,4-dien-1-yl-5-methyl-hex-3-yn-2-ol CAS Name: 5-tert-butyldioxy-2-(1-cyclopenta-1,4-dienyl)-5-methyl-3-hexyn-2-ol; iron(2+) IUPAC Name: 5-tert-butylperoxy-2-cyclopenta-1,4-dien-1-yl-5-methylhex-3-yn-2-ol; iron(2+) Traditional Name: ferrous 5-tert-butylperoxy-2-cyclopenta-1,4-dien-1-yl-5-methyl-hex-3-yn-2-ol Formula: C32H46FeO6 MolecularWeight: 582.54904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C16H23O3.Fe/c2*1-14(2,3)18-19-15(4,5)11-12-16(6,17)13-9-7-8-10-13;/h2*7-10,17H,1-6H3;/q2*-1;+2