2-tert-butylcyclopenta-1,3-diene; 2-methylpent-4-en-2-olate; zirconium(4+)

Systemtic Name: 2-tert-butylcyclopenta-1,3-diene; 2-methylpent-4-en-2-olate; zirconium(4+) Openeye Name: 2-tert-butylcyclopenta-1,3-diene; 2-methylpent-4-en-2-olate; zirconium(4+) CAS Name: 2-tert-butylcyclopenta-1,3-diene; 2-methyl-4-penten-2-olate; zirconium(4+) IUPAC Name: 2-tert-butylcyclopenta-1,3-diene; 2-methylpent-4-en-2-olate; zirconium(4+) Traditional Name: 2-tert-butylcyclopenta-1,3-diene; 2-methylpent-4-en-2-olate; zirconium(4+) Formula: C27H46O3Zr MolecularWeight: 509.87634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=[C-]CC=C1.CC(C)(CC=C)[O-].CC(C)(CC=C)[O-].CC(C)(CC=C)[O-].[Zr+4]

Isomeric SMILES

CC(C)(C)C1=[C-]CC=C1.CC(C)(CC=C)[O-].CC(C)(CC=C)[O-].CC(C)(CC=C)[O-].[Zr+4]

InChI

InChI=1S/C9H13.3C6H11O.Zr/c1-9(2,3)8-6-4-5-7-8;3*1-4-5-6(2,3)7;/h4,6H,5H2,1-3H3;3*4H,1,5H2,2-3H3;/q4*-1;+4