(Z)-1,1,1-tris(fluoranyl)-5,5-dimethyl-4-oxidanyl-hex-3-en-2-one; zirconium

Systemtic Name: (Z)-1,1,1-tris(fluoranyl)-5,5-dimethyl-4-oxidanyl-hex-3-en-2-one; zirconium Openeye Name: (Z)-1,1,1-trifluoro-4-hydroxy-5,5-dimethyl-hex-3-en-2-one; zirconium CAS Name: (Z)-1,1,1-trifluoro-4-hydroxy-5,5-dimethyl-3-hexen-2-one; zirconium IUPAC Name: (Z)-1,1,1-trifluoro-4-hydroxy-5,5-dimethylhex-3-en-2-one; zirconium Traditional Name: (Z)-1,1,1-trifluoro-4-hydroxy-5,5-dimethyl-hex-3-en-2-one; zirconium Formula: C32H44F12O8Zr MolecularWeight: 875.891798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(/C(=C/C(=O)C(F)(F)F)/O)(C)C.CC(/C(=C/C(=O)C(F)(F)F)/O)(C)C.CC(/C(=C/C(=O)C(F)(F)F)/O)(C)C.CC(/C(=C/C(=O)C(F)(F)F)/O)(C)C.[Zr]

InChI

InChI=1S/4C8H11F3O2.Zr/c4*1-7(2,3)5(12)4-6(13)8(9,10)11;/h4*4,12H,1-3H3;/b4*5-4-;