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

Systemtic Name: 5-tert-butylperoxy-2-cyclopenta-1,4-dien-1-yl-5-methyl-hex-3-yn-2-ol; cyclopenta-1,3-diene; iron(2+) Openeye Name: ferrous; 5-tert-butylperoxy-2-cyclopenta-1,4-dien-1-yl-5-methyl-hex-3-yn-2-ol; cyclopenta-1,3-diene CAS Name: 5-tert-butyldioxy-2-(1-cyclopenta-1,4-dienyl)-5-methyl-3-hexyn-2-ol; cyclopenta-1,3-diene; iron(2+) IUPAC Name: 5-tert-butylperoxy-2-cyclopenta-1,4-dien-1-yl-5-methylhex-3-yn-2-ol; cyclopenta-1,3-diene; iron(2+) Traditional Name: ferrous; 5-tert-butylperoxy-2-cyclopenta-1,4-dien-1-yl-5-methyl-hex-3-yn-2-ol; cyclopenta-1,3-diene Formula: C21H28FeO3 MolecularWeight: 384.29022

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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.[CH-]1C=CC=C1.[Fe+2]

Isomeric SMILES

CC(C)(C)OOC(C)(C)C#CC(C)(C1=C[CH-]C=C1)O.[CH-]1C=CC=C1.[Fe+2]

InChI

InChI=1S/C16H23O3.C5H5.Fe/c1-14(2,3)18-19-15(4,5)11-12-16(6,17)13-9-7-8-10-13;1-2-4-5-3-1;/h7-10,17H,1-6H3;1-5H;/q2*-1;+2