2,6-bis[(2-methylpropan-2-yl)oxy]phenolate; 2-butylcyclopenta-1,3-diene; zirconium(2+)

Systemtic Name: 2,6-bis[(2-methylpropan-2-yl)oxy]phenolate; 2-butylcyclopenta-1,3-diene; zirconium(2+) Openeye Name: 2-butylcyclopenta-1,3-diene; 2,6-ditert-butoxyphenolate; zirconium(2+) CAS Name: 2,6-bis[(2-methylpropan-2-yl)oxy]phenolate; 2-butylcyclopenta-1,3-diene; zirconium(2+) IUPAC Name: 2,6-bis[(2-methylpropan-2-yl)oxy]phenolate; 2-butylcyclopenta-1,3-diene; zirconium(2+) Traditional Name: 2-butylcyclopenta-1,3-diene; 2,6-ditert-butoxyphenolate; zirconium(2+) Formula: C64H94O6Zr2-2 MolecularWeight: 1141.87556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CC(C)(C)OC1=C(C(=CC=C1)OC(C)(C)C)[O-].CC(C)(C)OC1=C(C(=CC=C1)OC(C)(C)C)[O-].[Zr+2].[Zr+2]

Isomeric SMILES

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CC(C)(C)OC1=C(C(=CC=C1)OC(C)(C)C)[O-].CC(C)(C)OC1=C(C(=CC=C1)OC(C)(C)C)[O-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C14H22O3.4C9H13.2Zr/c2*1-13(2,3)16-10-8-7-9-11(12(10)15)17-14(4,5)6;4*1-2-3-6-9-7-4-5-8-9;;/h2*7-9,15H,1-6H3;4*4,7H,2-3,5-6H2,1H3;;/q;;4*-1;2*+2/p-2