1-cyclopentylethanone; iron(2+); 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]ethanone

Systemtic Name: 1-cyclopentylethanone; iron(2+); 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]ethanone Openeye Name: ferrous; 1-cyclopentylethanone; 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]ethanone CAS Name: 1-cyclopentylethanone; iron(2+); 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]ethanone IUPAC Name: 1-cyclopentylethanone; iron(2+); 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]ethanone Traditional Name: ferrous; 1-cyclopentylethanone; 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopentyl]ethanone Formula: C20H25BFeO4+2 MolecularWeight: 396.0661

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Descriptors Computed from Structure

Canonical SMILES:

B1(OC(C(O1)(C)C)(C)C)[C]2[CH][CH][C]([CH]2)C(=O)C.CC(=O)[C]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

B1(OC(C(O1)(C)C)(C)C)[C]2[CH][CH][C]([CH]2)C(=O)C.CC(=O)[C]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C13H18BO3.C7H7O.Fe/c1-9(15)10-6-7-11(8-10)14-16-12(2,3)13(4,5)17-14;1-6(8)7-4-2-3-5-7;/h6-8H,1-5H3;2-5H,1H3;/q;;+2