(Z)-2,2,6,6-tetramethyl-5-oxidanylidene-hept-3-en-3-olate; zirconium(4+)

Systemtic Name: (Z)-2,2,6,6-tetramethyl-5-oxidanylidene-hept-3-en-3-olate; zirconium(4+) Openeye Name: (Z)-2,2,6,6-tetramethyl-5-oxo-hept-3-en-3-olate; zirconium(4+) CAS Name: (Z)-2,2,6,6-tetramethyl-5-oxo-3-hepten-3-olate; zirconium(4+) IUPAC Name: (Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate; zirconium(4+) Traditional Name: (Z)-5-keto-2,2,6,6-tetramethyl-hept-3-en-3-olate; zirconium(4+) Formula: C44H76O8Zr MolecularWeight: 824.29344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].[Zr+4]

Isomeric SMILES

CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.[Zr+4]

InChI

InChI=1S/4C11H20O2.Zr/c4*1-10(2,3)8(12)7-9(13)11(4,5)6;/h4*7,12H,1-6H3;/q;;;;+4/p-4/b4*8-7-;