2-butylcyclopenta-1,3-diene; 3,5-dimethoxyphenolate; zirconium(2+)

Systemtic Name: 2-butylcyclopenta-1,3-diene; 3,5-dimethoxyphenolate; zirconium(2+) Openeye Name: 2-butylcyclopenta-1,3-diene; 3,5-dimethoxyphenolate; zirconium(2+) CAS Name: 2-butylcyclopenta-1,3-diene; 3,5-dimethoxyphenolate; zirconium(2+) IUPAC Name: 2-butylcyclopenta-1,3-diene; 3,5-dimethoxyphenolate; zirconium(2+) Traditional Name: 2-butylcyclopenta-1,3-diene; 3,5-dimethoxyphenolate; zirconium(2+) Formula: C52H70O6Zr2-2 MolecularWeight: 973.5566

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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.COC1=CC(=CC(=C1)[O-])OC.COC1=CC(=CC(=C1)[O-])OC.[Zr+2].[Zr+2]

Isomeric SMILES

CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.CCCCC1=[C-]CC=C1.COC1=CC(=CC(=C1)[O-])OC.COC1=CC(=CC(=C1)[O-])OC.[Zr+2].[Zr+2]

InChI

InChI=1S/4C9H13.2C8H10O3.2Zr/c4*1-2-3-6-9-7-4-5-8-9;2*1-10-7-3-6(9)4-8(5-7)11-2;;/h4*4,7H,2-3,5-6H2,1H3;2*3-5,9H,1-2H3;;/q4*-1;;;2*+2/p-2