6,6,7,7,8,8,8-heptakis(fluoranyl)-2,2-dimethyl-octane-3,5-dione; iron

Systemtic Name: 6,6,7,7,8,8,8-heptakis(fluoranyl)-2,2-dimethyl-octane-3,5-dione; iron Openeye Name: 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-octane-3,5-dione; iron CAS Name: 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione; iron IUPAC Name: 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione; iron Traditional Name: 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-octane-3,5-dione; iron Formula: C30H33F21FeO6 MolecularWeight: 944.390887

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.[Fe]

Isomeric SMILES

CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.[Fe]

InChI

InChI=1S/3C10H11F7O2.Fe/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*4H2,1-3H3;