2-butylcyclopenta-1,3-diene; 2,6-diethoxyphenolate; zirconium(2+)

Systemtic Name: 2-butylcyclopenta-1,3-diene; 2,6-diethoxyphenolate; zirconium(2+) Openeye Name: 2-butylcyclopenta-1,3-diene; 2,6-diethoxyphenolate; zirconium(2+) CAS Name: 2-butylcyclopenta-1,3-diene; 2,6-diethoxyphenolate; zirconium(2+) IUPAC Name: 2-butylcyclopenta-1,3-diene; 2,6-diethoxyphenolate; zirconium(2+) Traditional Name: 2-butylcyclopenta-1,3-diene; 2,6-diethoxyphenolate; zirconium(2+) Formula: C56H78O6Zr2-2 MolecularWeight: 1029.66292

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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.CCOC1=C(C(=CC=C1)OCC)[O-].CCOC1=C(C(=CC=C1)OCC)[O-].[Zr+2].[Zr+2]

Isomeric SMILES

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCOC1=C(C(=CC=C1)OCC)[O-].CCOC1=C(C(=CC=C1)OCC)[O-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C10H14O3.4C9H13.2Zr/c2*1-3-12-8-6-5-7-9(10(8)11)13-4-2;4*1-2-3-6-9-7-4-5-8-9;;/h2*5-7,11H,3-4H2,1-2H3;4*4,7H,2-3,5-6H2,1H3;;/q;;4*-1;2*+2/p-2